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

C24H29N5 — CID 22544274

IUPAC6-(4-benzylpiperidin-1-yl)-4-N-(4-ethylphenyl)pyrimidine-4,5-diamine
SMILESCCc1ccc(Nc2ncnc(N3CCC(Cc4ccccc4)CC3)c2N)cc1
InChIInChI=1S/C24H29N5/c1-2-18-8-10-21(11-9-18)28-23-22(25)24(27-17-26-23)29-14-12-20(13-15-29)16-19-6-4-3-5-7-19/h3-11,17,20H,2,12-16,25H2,1H3,(H,26,27,28)
InChIKeyXPWGHNIQYRDWOI-UHFFFAOYSA-N
MW387.53 g/mol
LogP4.82
Rot. Bonds6

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

6-(4-benzylpiperidin-1-yl)-4-N-(4-ethylphenyl)pyrimidine-4,5-diamine (PubChem CID 22544274) 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-(4-ethylphenyl)pyrimidine-4,5-diamine.

Molecular Properties

Compound Name6-(4-benzylpiperidin-1-yl)-4-N-(4-ethylphenyl)pyrimidine-4,5-diamine
PubChem CID22544274
Molecular FormulaC24H29N5
Molecular Weight387.53 g/mol
Exact Mass387.24
IUPAC Name6-(4-benzylpiperidin-1-yl)-4-N-(4-ethylphenyl)pyrimidine-4,5-diamine
SMILESCCc1ccc(Nc2ncnc(N3CCC(Cc4ccccc4)CC3)c2N)cc1
InChIInChI=1S/C24H29N5/c1-2-18-8-10-21(11-9-18)28-23-22(25)24(27-17-26-23)29-14-12-20(13-15-29)16-19-6-4-3-5-7-19/h3-11,17,20H,2,12-16,25H2,1H3,(H,26,27,28)
InChIKeyXPWGHNIQYRDWOI-UHFFFAOYSA-N
XLogP4.82
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.53
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(4-benzylpiperidin-1-yl)-N-(4-ethylphenyl)-5-nitropyrimidin-4-amine
CID 23482837
4-N-(4-ethylphenyl)-6-piperidin-1-ylpyrimidine-4,5-diamine
CID 22544263
ethyl 3-[[5-amino-6-(4-benzylpiperidin-1-yl)pyrimidin-4-yl]amino]benzoate
CID 19139525
1-[3-[[5-amino-6-(4-benzylpiperidin-1-yl)pyrimidin-4-yl]amino]phenyl]ethanone
CID 22547393
6-(4-benzylpiperidin-1-yl)-4-N-(2,4-dimethylphenyl)pyrimidine-4,5-diamine
CID 19139421
4-(4-benzylpiperidin-1-yl)-6-(2,2-diphenylhydrazinyl)pyrimidin-5-amine
CID 19139445
4-(4-benzylpiperidin-1-yl)-6-morpholin-4-ylpyrimidin-5-amine
CID 19137622
N'-[5-amino-6-(4-benzylpiperidin-1-yl)pyrimidin-4-yl]pyridine-2-carbohydrazide
CID 19139500
6-(4-benzylpiperazin-1-yl)-4-N-(4-ethoxyphenyl)pyrimidine-4,5-diamine
CID 19139295
4-(4-benzylpiperidin-1-yl)-6-phenoxypyrimidin-5-amine
CID 19139509
3-(4-benzylpiperidin-1-yl)-N-(4-ethylphenyl)-1,2,4-triazin-5-amine
CID 112960327
4-(4-benzylpiperidin-1-yl)pyrimidin-5-amine
CID 79918295

Frequently Asked Questions

What is the IUPAC name of 6-(4-benzylpiperidin-1-yl)-4-N-(4-ethylphenyl)pyrimidine-4,5-diamine?
The IUPAC name of 6-(4-benzylpiperidin-1-yl)-4-N-(4-ethylphenyl)pyrimidine-4,5-diamine (CID 22544274) is 6-(4-benzylpiperidin-1-yl)-4-N-(4-ethylphenyl)pyrimidine-4,5-diamine.
What is the SMILES notation for 6-(4-benzylpiperidin-1-yl)-4-N-(4-ethylphenyl)pyrimidine-4,5-diamine?
The canonical SMILES for 6-(4-benzylpiperidin-1-yl)-4-N-(4-ethylphenyl)pyrimidine-4,5-diamine is CCc1ccc(Nc2ncnc(N3CCC(Cc4ccccc4)CC3)c2N)cc1.
What is the InChIKey of 6-(4-benzylpiperidin-1-yl)-4-N-(4-ethylphenyl)pyrimidine-4,5-diamine?
The InChIKey is XPWGHNIQYRDWOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5/c1-2-18-8-10-21(11-9-18)28-23-22(25)24(27-17-26-23)29-14-12-20(13-15-29)16-19-6-4-3-5-7-19/h3-11,17,20H,2,12-16,25H2,1H3,(H,26,27,28).
What are the key properties of 6-(4-benzylpiperidin-1-yl)-4-N-(4-ethylphenyl)pyrimidine-4,5-diamine?
6-(4-benzylpiperidin-1-yl)-4-N-(4-ethylphenyl)pyrimidine-4,5-diamine has a molecular weight of 387.53 g/mol, XLogP of 4.82, 6 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-(4-ethylphenyl)pyrimidine-4,5-diamine is sourced from PubChem (CID 22544274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).