2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-N-(2-morpholin-4-ylethyl)pyrido[3,4-d]pyrimidin-6-amine

C29H38N6O2 — CID 118610491

IUPAC2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-N-(2-morpholin-4-ylethyl)pyrido[3,4-d]pyrimidin-6-amine
SMILESCOc1ccccc1C1CCN(c2nc(C3CC3)nc3cnc(N(C)CCN4CCOCC4)cc23)CC1
InChIInChI=1S/C29H38N6O2/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/h3-6,19-22H,7-18H2,1-2H3
InChIKeyBDGHZNUJQKZKQB-UHFFFAOYSA-N
MW502.66 g/mol
LogP4.06
Rot. Bonds8

About 2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-N-(2-morpholin-4-ylethyl)pyrido[3,4-d]pyrimidin-6-amine

2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-N-(2-morpholin-4-ylethyl)pyrido[3,4-d]pyrimidin-6-amine (PubChem CID 118610491) has the molecular formula C29H38N6O2 and a molecular weight of 502.66 g/mol. Its IUPAC name is 2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-N-(2-morpholin-4-ylethyl)pyrido[3,4-d]pyrimidin-6-amine.

Molecular Properties

Compound Name2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-N-(2-morpholin-4-ylethyl)pyrido[3,4-d]pyrimidin-6-amine
PubChem CID118610491
Molecular FormulaC29H38N6O2
Molecular Weight502.66 g/mol
Exact Mass502.31
IUPAC Name2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-N-(2-morpholin-4-ylethyl)pyrido[3,4-d]pyrimidin-6-amine
SMILESCOc1ccccc1C1CCN(c2nc(C3CC3)nc3cnc(N(C)CCN4CCOCC4)cc23)CC1
InChIInChI=1S/C29H38N6O2/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/h3-6,19-22H,7-18H2,1-2H3
InChIKeyBDGHZNUJQKZKQB-UHFFFAOYSA-N
XLogP4.06
TPSA66.85 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.66
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-N-(2-morpholin-4-ylethyl)pyrido[3,4-d]pyrimidin-6-amine?
The IUPAC name of 2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-N-(2-morpholin-4-ylethyl)pyrido[3,4-d]pyrimidin-6-amine (CID 118610491) is 2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-N-(2-morpholin-4-ylethyl)pyrido[3,4-d]pyrimidin-6-amine.
What is the SMILES notation for 2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-N-(2-morpholin-4-ylethyl)pyrido[3,4-d]pyrimidin-6-amine?
The canonical SMILES for 2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-N-(2-morpholin-4-ylethyl)pyrido[3,4-d]pyrimidin-6-amine is COc1ccccc1C1CCN(c2nc(C3CC3)nc3cnc(N(C)CCN4CCOCC4)cc23)CC1.
What is the InChIKey of 2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-N-(2-morpholin-4-ylethyl)pyrido[3,4-d]pyrimidin-6-amine?
The InChIKey is BDGHZNUJQKZKQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H38N6O2/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/h3-6,19-22H,7-18H2,1-2H3.
What are the key properties of 2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-N-(2-morpholin-4-ylethyl)pyrido[3,4-d]pyrimidin-6-amine?
2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-N-(2-morpholin-4-ylethyl)pyrido[3,4-d]pyrimidin-6-amine has a molecular weight of 502.66 g/mol, XLogP of 4.06, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-N-(2-morpholin-4-ylethyl)pyrido[3,4-d]pyrimidin-6-amine is sourced from PubChem (CID 118610491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).