tert-butyl N-(2-morpholin-4-ylethyl)carbamate;6-chloro-2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]pyrido[3,4-d]pyrimidine;2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-N-(2-morpholin-4-ylethyl)pyrido[3,4-d]pyrimidin-6-amine;bis(N-methyl-2-morpholin-4-ylethanamine);2-morpholin-4-ylethanamine

C82H129ClN18O9 — CID 157050933

About tert-butyl N-(2-morpholin-4-ylethyl)carbamate;6-chloro-2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]pyrido[3,4-d]pyrimidine;2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-N-(2-morpholin-4-ylethyl)pyrido[3,4-d]pyrimidin-6-amine;bis(N-methyl-2-morpholin-4-ylethanamine);2-morpholin-4-ylethanamine

tert-butyl N-(2-morpholin-4-ylethyl)carbamate;6-chloro-2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]pyrido[3,4-d]pyrimidine;2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-N-(2-morpholin-4-ylethyl)pyrido[3,4-d]pyrimidin-6-amine;bis(N-methyl-2-morpholin-4-ylethanamine);2-morpholin-4-ylethanamine (PubChem CID 157050933) has the molecular formula C82H129ClN18O9 and a molecular weight of 1546.50 g/mol. Its IUPAC name is tert-butyl N-(2-morpholin-4-ylethyl)carbamate;6-chloro-2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]pyrido[3,4-d]pyrimidine;2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-N-(2-morpholin-4-ylethyl)pyrido[3,4-d]pyrimidin-6-amine;bis(N-methyl-2-morpholin-4-ylethanamine);2-morpholin-4-ylethanamine.

Molecular Properties

• Compound Name: tert-butyl N-(2-morpholin-4-ylethyl)carbamate;6-chloro-2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]pyrido[3,4-d]pyrimidine;2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-N-(2-morpholin-4-ylethyl)pyrido[3,4-d]pyrimidin-6-amine;bis(N-methyl-2-morpholin-4-ylethanamine);2-morpholin-4-ylethanamine
• PubChem CID: 157050933
• Molecular Formula: C82H129ClN18O9
• Molecular Weight: 1546.50 g/mol
• Exact Mass: 1544.99
• IUPAC Name: tert-butyl N-(2-morpholin-4-ylethyl)carbamate;6-chloro-2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]pyrido[3,4-d]pyrimidine;2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-N-(2-morpholin-4-ylethyl)pyrido[3,4-d]pyrimidin-6-amine;bis(N-methyl-2-morpholin-4-ylethanamine);2-morpholin-4-ylethanamine
• SMILES: CC(C)(C)OC(=O)NCCN1CCOCC1.CNCCN1CCOCC1.CNCCN1CCOCC1.COc1ccccc1C1CCN(c2nc(C3CC3)nc3cnc(Cl)cc23)CC1.COc1ccccc1C1CCN(c2nc(C3CC3)nc3cnc(N(C)CCN4CCOCC4)cc23)CC1.NCCN1CCOCC1
• InChI: InChI=1S/C29H38N6O2.C22H23ClN4O.C11H22N2O3.2C7H16N2O.C6H14N2O/c1-33(13-14-34-15-17-37-18-16-34)27-19-24-25(20-30-27)31-28(22-7-8-22)32-29(24)35-11-9-21(10-12-35)23-5-3-4-6-26(23)36-2;1-28-19-5-3-2-4-16(19)14-8-10-27(11-9-14)22-17-12-20(23)24-13-18(17)25-21(26-22)15-6-7-15;1-11(2,3)16-10(14)12-4-5-13-6-8-15-9-7-13;2*1-8-2-3-9-4-6-10-7-5-9;7-1-2-8-3-5-9-6-4-8/h3-6,19-22H,7-18H2,1-2H3;2-5,12-15H,6-11H2,1H3;4-9H2,1-3H3,(H,12,14);2*8H,2-7H2,1H3;1-7H2
• InChIKey: AAEUKNBZLGVVNW-UHFFFAOYSA-N
• XLogP: 8.21
• TPSA: 256.28 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 26
• Rotatable Bonds: 23
• Heavy Atoms: 110
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1546.50
LogP ≤ 5	8.21
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-morpholin-4-ylethyl)carbamate;6-chloro-2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]pyrido[3,4-d]pyrimidine;2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-N-(2-morpholin-4-ylethyl)pyrido[3,4-d]pyrimidin-6-amine;bis(N-methyl-2-morpholin-4-ylethanamine);2-morpholin-4-ylethanamine?

The IUPAC name of tert-butyl N-(2-morpholin-4-ylethyl)carbamate;6-chloro-2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]pyrido[3,4-d]pyrimidine;2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-N-(2-morpholin-4-ylethyl)pyrido[3,4-d]pyrimidin-6-amine;bis(N-methyl-2-morpholin-4-ylethanamine);2-morpholin-4-ylethanamine (CID 157050933) is tert-butyl N-(2-morpholin-4-ylethyl)carbamate;6-chloro-2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]pyrido[3,4-d]pyrimidine;2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-N-(2-morpholin-4-ylethyl)pyrido[3,4-d]pyrimidin-6-amine;bis(N-methyl-2-morpholin-4-ylethanamine);2-morpholin-4-ylethanamine.

What is the SMILES notation for tert-butyl N-(2-morpholin-4-ylethyl)carbamate;6-chloro-2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]pyrido[3,4-d]pyrimidine;2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-N-(2-morpholin-4-ylethyl)pyrido[3,4-d]pyrimidin-6-amine;bis(N-methyl-2-morpholin-4-ylethanamine);2-morpholin-4-ylethanamine?

The canonical SMILES for tert-butyl N-(2-morpholin-4-ylethyl)carbamate;6-chloro-2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]pyrido[3,4-d]pyrimidine;2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-N-(2-morpholin-4-ylethyl)pyrido[3,4-d]pyrimidin-6-amine;bis(N-methyl-2-morpholin-4-ylethanamine);2-morpholin-4-ylethanamine is CC(C)(C)OC(=O)NCCN1CCOCC1.CNCCN1CCOCC1.CNCCN1CCOCC1.COc1ccccc1C1CCN(c2nc(C3CC3)nc3cnc(Cl)cc23)CC1.COc1ccccc1C1CCN(c2nc(C3CC3)nc3cnc(N(C)CCN4CCOCC4)cc23)CC1.NCCN1CCOCC1.

What is the InChIKey of tert-butyl N-(2-morpholin-4-ylethyl)carbamate;6-chloro-2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]pyrido[3,4-d]pyrimidine;2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-N-(2-morpholin-4-ylethyl)pyrido[3,4-d]pyrimidin-6-amine;bis(N-methyl-2-morpholin-4-ylethanamine);2-morpholin-4-ylethanamine?

The InChIKey is AAEUKNBZLGVVNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H38N6O2.C22H23ClN4O.C11H22N2O3.2C7H16N2O.C6H14N2O/c1-33(13-14-34-15-17-37-18-16-34)27-19-24-25(20-30-27)31-28(22-7-8-22)32-29(24)35-11-9-21(10-12-35)23-5-3-4-6-26(23)36-2;1-28-19-5-3-2-4-16(19)14-8-10-27(11-9-14)22-17-12-20(23)24-13-18(17)25-21(26-22)15-6-7-15;1-11(2,3)16-10(14)12-4-5-13-6-8-15-9-7-13;2*1-8-2-3-9-4-6-10-7-5-9;7-1-2-8-3-5-9-6-4-8/h3-6,19-22H,7-18H2,1-2H3;2-5,12-15H,6-11H2,1H3;4-9H2,1-3H3,(H,12,14);2*8H,2-7H2,1H3;1-7H2.

What are the key properties of tert-butyl N-(2-morpholin-4-ylethyl)carbamate;6-chloro-2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]pyrido[3,4-d]pyrimidine;2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-N-(2-morpholin-4-ylethyl)pyrido[3,4-d]pyrimidin-6-amine;bis(N-methyl-2-morpholin-4-ylethanamine);2-morpholin-4-ylethanamine?

tert-butyl N-(2-morpholin-4-ylethyl)carbamate;6-chloro-2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]pyrido[3,4-d]pyrimidine;2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-N-(2-morpholin-4-ylethyl)pyrido[3,4-d]pyrimidin-6-amine;bis(N-methyl-2-morpholin-4-ylethanamine);2-morpholin-4-ylethanamine has a molecular weight of 1546.50 g/mol, XLogP of 8.21, 23 rotatable bonds, 4 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-(2-morpholin-4-ylethyl)carbamate;6-chloro-2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]pyrido[3,4-d]pyrimidine;2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-N-(2-morpholin-4-ylethyl)pyrido[3,4-d]pyrimidin-6-amine;bis(N-methyl-2-morpholin-4-ylethanamine);2-morpholin-4-ylethanamine is sourced from PubChem (CID 157050933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).