6-(4-benzylpiperidin-1-yl)-4-N-(2,4-dimethylphenyl)pyrimidine-4,5-diamine

C24H29N5 — CID 19139421

IUPAC6-(4-benzylpiperidin-1-yl)-4-N-(2,4-dimethylphenyl)pyrimidine-4,5-diamine
SMILESCc1ccc(Nc2ncnc(N3CCC(Cc4ccccc4)CC3)c2N)c(C)c1
InChIInChI=1S/C24H29N5/c1-17-8-9-21(18(2)14-17)28-23-22(25)24(27-16-26-23)29-12-10-20(11-13-29)15-19-6-4-3-5-7-19/h3-9,14,16,20H,10-13,15,25H2,1-2H3,(H,26,27,28)
InChIKeyLBJRHHHCXFPWMA-UHFFFAOYSA-N
MW387.53 g/mol
LogP4.88
Rot. Bonds5

About 6-(4-benzylpiperidin-1-yl)-4-N-(2,4-dimethylphenyl)pyrimidine-4,5-diamine

6-(4-benzylpiperidin-1-yl)-4-N-(2,4-dimethylphenyl)pyrimidine-4,5-diamine (PubChem CID 19139421) has the molecular formula C24H29N5 and a molecular weight of 387.53 g/mol. Its IUPAC name is 6-(4-benzylpiperidin-1-yl)-4-N-(2,4-dimethylphenyl)pyrimidine-4,5-diamine.

Molecular Properties

Compound Name6-(4-benzylpiperidin-1-yl)-4-N-(2,4-dimethylphenyl)pyrimidine-4,5-diamine
PubChem CID19139421
Molecular FormulaC24H29N5
Molecular Weight387.53 g/mol
Exact Mass387.24
IUPAC Name6-(4-benzylpiperidin-1-yl)-4-N-(2,4-dimethylphenyl)pyrimidine-4,5-diamine
SMILESCc1ccc(Nc2ncnc(N3CCC(Cc4ccccc4)CC3)c2N)c(C)c1
InChIInChI=1S/C24H29N5/c1-17-8-9-21(18(2)14-17)28-23-22(25)24(27-16-26-23)29-12-10-20(11-13-29)15-19-6-4-3-5-7-19/h3-9,14,16,20H,10-13,15,25H2,1-2H3,(H,26,27,28)
InChIKeyLBJRHHHCXFPWMA-UHFFFAOYSA-N
XLogP4.88
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.53
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(2,4-dimethylphenyl)-6-(4-methylpiperidin-1-yl)pyrimidine-4,5-diamine
CID 19140271
6-(4-benzylpiperidin-1-yl)-4-N-(4-ethylphenyl)pyrimidine-4,5-diamine
CID 22544274
4-(4-benzylpiperidin-1-yl)-6-(2,2-diphenylhydrazinyl)pyrimidin-5-amine
CID 19139445
2-[4-[5-amino-6-(2,4-dimethylanilino)pyrimidin-4-yl]piperazin-1-yl]ethanol
CID 19140604
1-[3-[[5-amino-6-(4-benzylpiperidin-1-yl)pyrimidin-4-yl]amino]phenyl]ethanone
CID 22547393
ethyl 3-[[5-amino-6-(4-benzylpiperidin-1-yl)pyrimidin-4-yl]amino]benzoate
CID 19139525
4-(4-benzylpiperidin-1-yl)-6-morpholin-4-ylpyrimidin-5-amine
CID 19137622
6-(4-benzylpiperidin-1-yl)-N-(2,4-dimethylphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 20917053
4-N-(2,5-dimethylphenyl)-6-piperidin-1-ylpyrimidine-4,5-diamine
CID 22546979
N'-[5-amino-6-(4-benzylpiperidin-1-yl)pyrimidin-4-yl]pyridine-2-carbohydrazide
CID 19139500
4-N-(2,5-dimethylphenyl)-6-(4-methylpiperazin-1-yl)pyrimidine-4,5-diamine
CID 22546983
6-(4-benzylpiperidin-1-yl)-N-(2,4-dichlorophenyl)-5-nitropyrimidin-4-amine
CID 23491413

Frequently Asked Questions

What is the IUPAC name of 6-(4-benzylpiperidin-1-yl)-4-N-(2,4-dimethylphenyl)pyrimidine-4,5-diamine?
The IUPAC name of 6-(4-benzylpiperidin-1-yl)-4-N-(2,4-dimethylphenyl)pyrimidine-4,5-diamine (CID 19139421) is 6-(4-benzylpiperidin-1-yl)-4-N-(2,4-dimethylphenyl)pyrimidine-4,5-diamine.
What is the SMILES notation for 6-(4-benzylpiperidin-1-yl)-4-N-(2,4-dimethylphenyl)pyrimidine-4,5-diamine?
The canonical SMILES for 6-(4-benzylpiperidin-1-yl)-4-N-(2,4-dimethylphenyl)pyrimidine-4,5-diamine is Cc1ccc(Nc2ncnc(N3CCC(Cc4ccccc4)CC3)c2N)c(C)c1.
What is the InChIKey of 6-(4-benzylpiperidin-1-yl)-4-N-(2,4-dimethylphenyl)pyrimidine-4,5-diamine?
The InChIKey is LBJRHHHCXFPWMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5/c1-17-8-9-21(18(2)14-17)28-23-22(25)24(27-16-26-23)29-12-10-20(11-13-29)15-19-6-4-3-5-7-19/h3-9,14,16,20H,10-13,15,25H2,1-2H3,(H,26,27,28).
What are the key properties of 6-(4-benzylpiperidin-1-yl)-4-N-(2,4-dimethylphenyl)pyrimidine-4,5-diamine?
6-(4-benzylpiperidin-1-yl)-4-N-(2,4-dimethylphenyl)pyrimidine-4,5-diamine has a molecular weight of 387.53 g/mol, XLogP of 4.88, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-benzylpiperidin-1-yl)-4-N-(2,4-dimethylphenyl)pyrimidine-4,5-diamine is sourced from PubChem (CID 19139421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).