N-benzyl-N,2-dimethyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine

C21H25N7 — CID 112872203

IUPACN-benzyl-N,2-dimethyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine
SMILESCc1nc(N(C)Cc2ccccc2)cc(N2CCN(c3ncccn3)CC2)n1
InChIInChI=1S/C21H25N7/c1-17-24-19(26(2)16-18-7-4-3-5-8-18)15-20(25-17)27-11-13-28(14-12-27)21-22-9-6-10-23-21/h3-10,15H,11-14,16H2,1-2H3
InChIKeyIAQBTQAZEHUMAO-UHFFFAOYSA-N
MW375.48 g/mol
LogP2.54
Rot. Bonds5

About N-benzyl-N,2-dimethyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine

N-benzyl-N,2-dimethyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine (PubChem CID 112872203) has the molecular formula C21H25N7 and a molecular weight of 375.48 g/mol. Its IUPAC name is N-benzyl-N,2-dimethyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-benzyl-N,2-dimethyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine
PubChem CID112872203
Molecular FormulaC21H25N7
Molecular Weight375.48 g/mol
Exact Mass375.22
IUPAC NameN-benzyl-N,2-dimethyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine
SMILESCc1nc(N(C)Cc2ccccc2)cc(N2CCN(c3ncccn3)CC2)n1
InChIInChI=1S/C21H25N7/c1-17-24-19(26(2)16-18-7-4-3-5-8-18)15-20(25-17)27-11-13-28(14-12-27)21-22-9-6-10-23-21/h3-10,15H,11-14,16H2,1-2H3
InChIKeyIAQBTQAZEHUMAO-UHFFFAOYSA-N
XLogP2.54
TPSA61.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-benzyl-N,2-dimethyl-6-(4-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112869160
2-methyl-N-(2-phenylethyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112873704
N-benzyl-6-(2,3-dihydroindol-1-yl)-N,2-dimethylpyrimidin-4-amine
CID 112872223
N-benzyl-N,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-amine
CID 112909437
N-benzyl-N-ethyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-2-amine
CID 112893045
4-N-benzyl-4-N,2-dimethyl-6-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine
CID 112872175
6-[benzyl(methyl)amino]-2-methylpyrimidine-4-carboxylic acid
CID 82299929
N-benzyl-2-[4-(2-fluorophenyl)piperazin-1-yl]-N-methylpyrimidin-4-amine
CID 112890826
N,N-diethyl-2-phenyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112881555
4-[6-[benzyl(methyl)amino]pyrimidin-4-yl]piperazine-1-carbaldehyde
CID 112858208
6-(4-benzylpiperidin-1-yl)-N-butyl-N,2-dimethylpyrimidin-4-amine
CID 112876342
N-benzyl-2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-methylpyrimidin-4-amine
CID 112890848

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N,2-dimethyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine?
The IUPAC name of N-benzyl-N,2-dimethyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine (CID 112872203) is N-benzyl-N,2-dimethyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine.
What is the SMILES notation for N-benzyl-N,2-dimethyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine?
The canonical SMILES for N-benzyl-N,2-dimethyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine is Cc1nc(N(C)Cc2ccccc2)cc(N2CCN(c3ncccn3)CC2)n1.
What is the InChIKey of N-benzyl-N,2-dimethyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine?
The InChIKey is IAQBTQAZEHUMAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N7/c1-17-24-19(26(2)16-18-7-4-3-5-8-18)15-20(25-17)27-11-13-28(14-12-27)21-22-9-6-10-23-21/h3-10,15H,11-14,16H2,1-2H3.
What are the key properties of N-benzyl-N,2-dimethyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine?
N-benzyl-N,2-dimethyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine has a molecular weight of 375.48 g/mol, XLogP of 2.54, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N,2-dimethyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 112872203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).