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;N-methyl-2-morpholin-4-ylethanamine

C58H77ClN12O4 — CID 159478911

About 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;N-methyl-2-morpholin-4-ylethanamine

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;N-methyl-2-morpholin-4-ylethanamine (PubChem CID 159478911) has the molecular formula C58H77ClN12O4 and a molecular weight of 1041.79 g/mol. Its IUPAC name is 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;N-methyl-2-morpholin-4-ylethanamine.

Molecular Properties

• Compound Name: 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;N-methyl-2-morpholin-4-ylethanamine
• PubChem CID: 159478911
• Molecular Formula: C58H77ClN12O4
• Molecular Weight: 1041.79 g/mol
• Exact Mass: 1040.59
• IUPAC Name: 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;N-methyl-2-morpholin-4-ylethanamine
• SMILES: CNCCN1CCOCC1.COc1ccccc1C1CCN(c2nc(C3CC3)nc3cnc(Cl)cc23)CC1.COc1ccccc1C1CCN(c2nc(C3CC3)nc3cnc(N(C)CCN4CCOCC4)cc23)CC1
• InChI: InChI=1S/C29H38N6O2.C22H23ClN4O.C7H16N2O/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;1-8-2-3-9-4-6-10-7-5-9/h3-6,19-22H,7-18H2,1-2H3;2-5,12-15H,6-11H2,1H3;8H,2-7H2,1H3
• InChIKey: LWTAOXAXZKDCHL-UHFFFAOYSA-N
• XLogP: 8.55
• TPSA: 142.49 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 16
• Rotatable Bonds: 15
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1041.79
LogP ≤ 5	8.55
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 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;N-methyl-2-morpholin-4-ylethanamine?

The IUPAC name of 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;N-methyl-2-morpholin-4-ylethanamine (CID 159478911) is 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;N-methyl-2-morpholin-4-ylethanamine.

What is the SMILES notation for 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;N-methyl-2-morpholin-4-ylethanamine?

The canonical SMILES for 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;N-methyl-2-morpholin-4-ylethanamine is CNCCN1CCOCC1.COc1ccccc1C1CCN(c2nc(C3CC3)nc3cnc(Cl)cc23)CC1.COc1ccccc1C1CCN(c2nc(C3CC3)nc3cnc(N(C)CCN4CCOCC4)cc23)CC1.

What is the InChIKey of 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;N-methyl-2-morpholin-4-ylethanamine?

The InChIKey is LWTAOXAXZKDCHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H38N6O2.C22H23ClN4O.C7H16N2O/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;1-8-2-3-9-4-6-10-7-5-9/h3-6,19-22H,7-18H2,1-2H3;2-5,12-15H,6-11H2,1H3;8H,2-7H2,1H3.

What are the key properties of 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;N-methyl-2-morpholin-4-ylethanamine?

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;N-methyl-2-morpholin-4-ylethanamine has a molecular weight of 1041.79 g/mol, XLogP of 8.55, 15 rotatable bonds, 1 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 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;N-methyl-2-morpholin-4-ylethanamine is sourced from PubChem (CID 159478911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).