2-N,4-N-bis(1-benzylpiperidin-4-yl)-6-methylpyrimidine-2,4-diamine

C29H38N6 — CID 117084915

IUPAC2-N,4-N-bis(1-benzylpiperidin-4-yl)-6-methylpyrimidine-2,4-diamine
SMILESCc1cc(NC2CCN(Cc3ccccc3)CC2)nc(NC2CCN(Cc3ccccc3)CC2)n1
InChIInChI=1S/C29H38N6/c1-23-20-28(31-26-12-16-34(17-13-26)21-24-8-4-2-5-9-24)33-29(30-23)32-27-14-18-35(19-15-27)22-25-10-6-3-7-11-25/h2-11,20,26-27H,12-19,21-22H2,1H3,(H2,30,31,32,33)
InChIKeyVCXGBYJUOICQJM-UHFFFAOYSA-N
MW470.67 g/mol
LogP4.94
Rot. Bonds8

About 2-N,4-N-bis(1-benzylpiperidin-4-yl)-6-methylpyrimidine-2,4-diamine

2-N,4-N-bis(1-benzylpiperidin-4-yl)-6-methylpyrimidine-2,4-diamine (PubChem CID 117084915) has the molecular formula C29H38N6 and a molecular weight of 470.67 g/mol. Its IUPAC name is 2-N,4-N-bis(1-benzylpiperidin-4-yl)-6-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N,4-N-bis(1-benzylpiperidin-4-yl)-6-methylpyrimidine-2,4-diamine
PubChem CID117084915
Molecular FormulaC29H38N6
Molecular Weight470.67 g/mol
Exact Mass470.32
IUPAC Name2-N,4-N-bis(1-benzylpiperidin-4-yl)-6-methylpyrimidine-2,4-diamine
SMILESCc1cc(NC2CCN(Cc3ccccc3)CC2)nc(NC2CCN(Cc3ccccc3)CC2)n1
InChIInChI=1S/C29H38N6/c1-23-20-28(31-26-12-16-34(17-13-26)21-24-8-4-2-5-9-24)33-29(30-23)32-27-14-18-35(19-15-27)22-25-10-6-3-7-11-25/h2-11,20,26-27H,12-19,21-22H2,1H3,(H2,30,31,32,33)
InChIKeyVCXGBYJUOICQJM-UHFFFAOYSA-N
XLogP4.94
TPSA56.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.67
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-N-(1-benzylpiperidin-4-yl)-6-methyl-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
CID 117084092
4-N-(1-benzylpiperidin-4-yl)-6-methyl-2-N-(2-methylpyrazol-3-yl)pyrimidine-2,4-diamine
CID 117081921
2-N,4-N-bis(1-benzylpiperidin-4-yl)pyrimidine-2,4-diamine
CID 117081882
2-(1-benzothiophen-3-yl)-N-(1-benzylpiperidin-4-yl)-6-methylpyrimidin-4-amine
CID 117084596
4-N-(1-benzylpiperidin-4-yl)-2-N-ethylpyrimidine-2,4-diamine
CID 117092145
2-[(1-benzylpiperidin-4-yl)amino]-4-methyl-1H-pyrimidin-6-one
CID 135719651
2-N-(1-benzylpiperidin-4-yl)-6-chloro-4-N-ethyl-1,3,5-triazine-2,4-diamine
CID 113258961
4-N-(1-benzylpyrrolidin-3-yl)-2-methylpyrimidine-4,6-diamine
CID 130559123
N-(1-benzylsulfonylpiperidin-4-yl)-4,6-dimethylpyrimidin-2-amine
CID 133306595
1-benzyl-N-methylpiperidin-4-amine
CID 4136128
4-N,6-dimethyl-2-N-[(3R)-1-(2-phenylethyl)piperidin-3-yl]pyrimidine-2,4-diamine
CID 95891656
N-[1-[[3,5-di(propan-2-yloxy)phenyl]methyl]piperidin-4-yl]-4,6-dimethylpyrimidin-2-amine
CID 68784815

Frequently Asked Questions

What is the IUPAC name of 2-N,4-N-bis(1-benzylpiperidin-4-yl)-6-methylpyrimidine-2,4-diamine?
The IUPAC name of 2-N,4-N-bis(1-benzylpiperidin-4-yl)-6-methylpyrimidine-2,4-diamine (CID 117084915) is 2-N,4-N-bis(1-benzylpiperidin-4-yl)-6-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N,4-N-bis(1-benzylpiperidin-4-yl)-6-methylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N,4-N-bis(1-benzylpiperidin-4-yl)-6-methylpyrimidine-2,4-diamine is Cc1cc(NC2CCN(Cc3ccccc3)CC2)nc(NC2CCN(Cc3ccccc3)CC2)n1.
What is the InChIKey of 2-N,4-N-bis(1-benzylpiperidin-4-yl)-6-methylpyrimidine-2,4-diamine?
The InChIKey is VCXGBYJUOICQJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H38N6/c1-23-20-28(31-26-12-16-34(17-13-26)21-24-8-4-2-5-9-24)33-29(30-23)32-27-14-18-35(19-15-27)22-25-10-6-3-7-11-25/h2-11,20,26-27H,12-19,21-22H2,1H3,(H2,30,31,32,33).
What are the key properties of 2-N,4-N-bis(1-benzylpiperidin-4-yl)-6-methylpyrimidine-2,4-diamine?
2-N,4-N-bis(1-benzylpiperidin-4-yl)-6-methylpyrimidine-2,4-diamine has a molecular weight of 470.67 g/mol, XLogP of 4.94, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N-bis(1-benzylpiperidin-4-yl)-6-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 117084915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).