2-[(2S)-1-[[2-(2-methoxyphenyl)phenyl]methyl]piperidin-2-yl]-N-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine

C27H33N5O — CID 92624617

IUPAC2-[(2S)-1-[[2-(2-methoxyphenyl)phenyl]methyl]piperidin-2-yl]-N-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
SMILESCNc1nc([C@@H]2CCCCN2Cc2ccccc2-c2ccccc2OC)nc2c1CNCC2
InChIInChI=1S/C27H33N5O/c1-28-26-22-17-29-15-14-23(22)30-27(31-26)24-12-7-8-16-32(24)18-19-9-3-4-10-20(19)21-11-5-6-13-25(21)33-2/h3-6,9-11,13,24,29H,7-8,12,14-18H2,1-2H3,(H,28,30,31)/t24-/m0/s1
InChIKeyQWVMQBYLMQHOKN-DEOSSOPVSA-N
MW443.60 g/mol
LogP4.57
Rot. Bonds6

About 2-[(2S)-1-[[2-(2-methoxyphenyl)phenyl]methyl]piperidin-2-yl]-N-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine

2-[(2S)-1-[[2-(2-methoxyphenyl)phenyl]methyl]piperidin-2-yl]-N-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine (PubChem CID 92624617) has the molecular formula C27H33N5O and a molecular weight of 443.60 g/mol. Its IUPAC name is 2-[(2S)-1-[[2-(2-methoxyphenyl)phenyl]methyl]piperidin-2-yl]-N-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[(2S)-1-[[2-(2-methoxyphenyl)phenyl]methyl]piperidin-2-yl]-N-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
PubChem CID92624617
Molecular FormulaC27H33N5O
Molecular Weight443.60 g/mol
Exact Mass443.27
IUPAC Name2-[(2S)-1-[[2-(2-methoxyphenyl)phenyl]methyl]piperidin-2-yl]-N-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
SMILESCNc1nc([C@@H]2CCCCN2Cc2ccccc2-c2ccccc2OC)nc2c1CNCC2
InChIInChI=1S/C27H33N5O/c1-28-26-22-17-29-15-14-23(22)30-27(31-26)24-12-7-8-16-32(24)18-19-9-3-4-10-20(19)21-11-5-6-13-25(21)33-2/h3-6,9-11,13,24,29H,7-8,12,14-18H2,1-2H3,(H,28,30,31)/t24-/m0/s1
InChIKeyQWVMQBYLMQHOKN-DEOSSOPVSA-N
XLogP4.57
TPSA62.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.60
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1-[[2-(2-methoxyphenyl)phenyl]methyl]piperidin-2-yl]-N-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine?
The IUPAC name of 2-[(2S)-1-[[2-(2-methoxyphenyl)phenyl]methyl]piperidin-2-yl]-N-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine (CID 92624617) is 2-[(2S)-1-[[2-(2-methoxyphenyl)phenyl]methyl]piperidin-2-yl]-N-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-[(2S)-1-[[2-(2-methoxyphenyl)phenyl]methyl]piperidin-2-yl]-N-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-[(2S)-1-[[2-(2-methoxyphenyl)phenyl]methyl]piperidin-2-yl]-N-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine is CNc1nc([C@@H]2CCCCN2Cc2ccccc2-c2ccccc2OC)nc2c1CNCC2.
What is the InChIKey of 2-[(2S)-1-[[2-(2-methoxyphenyl)phenyl]methyl]piperidin-2-yl]-N-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine?
The InChIKey is QWVMQBYLMQHOKN-DEOSSOPVSA-N. The full InChI is InChI=1S/C27H33N5O/c1-28-26-22-17-29-15-14-23(22)30-27(31-26)24-12-7-8-16-32(24)18-19-9-3-4-10-20(19)21-11-5-6-13-25(21)33-2/h3-6,9-11,13,24,29H,7-8,12,14-18H2,1-2H3,(H,28,30,31)/t24-/m0/s1.
What are the key properties of 2-[(2S)-1-[[2-(2-methoxyphenyl)phenyl]methyl]piperidin-2-yl]-N-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine?
2-[(2S)-1-[[2-(2-methoxyphenyl)phenyl]methyl]piperidin-2-yl]-N-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine has a molecular weight of 443.60 g/mol, XLogP of 4.57, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-1-[[2-(2-methoxyphenyl)phenyl]methyl]piperidin-2-yl]-N-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine is sourced from PubChem (CID 92624617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).