4-N-benzyl-6-(2-ethylpiperidin-1-yl)-4-N-pyridin-2-ylpyrimidine-4,5-diamine

C23H28N6 — CID 19140544

IUPAC4-N-benzyl-6-(2-ethylpiperidin-1-yl)-4-N-pyridin-2-ylpyrimidine-4,5-diamine
SMILESCCC1CCCCN1c1ncnc(N(Cc2ccccc2)c2ccccn2)c1N
InChIInChI=1S/C23H28N6/c1-2-19-12-7-9-15-28(19)22-21(24)23(27-17-26-22)29(20-13-6-8-14-25-20)16-18-10-4-3-5-11-18/h3-6,8,10-11,13-14,17,19H,2,7,9,12,15-16,24H2,1H3
InChIKeyTWTKDFIXZHRTGZ-UHFFFAOYSA-N
MW388.52 g/mol
LogP4.56
Rot. Bonds6

About 4-N-benzyl-6-(2-ethylpiperidin-1-yl)-4-N-pyridin-2-ylpyrimidine-4,5-diamine

4-N-benzyl-6-(2-ethylpiperidin-1-yl)-4-N-pyridin-2-ylpyrimidine-4,5-diamine (PubChem CID 19140544) has the molecular formula C23H28N6 and a molecular weight of 388.52 g/mol. Its IUPAC name is 4-N-benzyl-6-(2-ethylpiperidin-1-yl)-4-N-pyridin-2-ylpyrimidine-4,5-diamine.

Molecular Properties

Compound Name4-N-benzyl-6-(2-ethylpiperidin-1-yl)-4-N-pyridin-2-ylpyrimidine-4,5-diamine
PubChem CID19140544
Molecular FormulaC23H28N6
Molecular Weight388.52 g/mol
Exact Mass388.24
IUPAC Name4-N-benzyl-6-(2-ethylpiperidin-1-yl)-4-N-pyridin-2-ylpyrimidine-4,5-diamine
SMILESCCC1CCCCN1c1ncnc(N(Cc2ccccc2)c2ccccn2)c1N
InChIInChI=1S/C23H28N6/c1-2-19-12-7-9-15-28(19)22-21(24)23(27-17-26-22)29(20-13-6-8-14-25-20)16-18-10-4-3-5-11-18/h3-6,8,10-11,13-14,17,19H,2,7,9,12,15-16,24H2,1H3
InChIKeyTWTKDFIXZHRTGZ-UHFFFAOYSA-N
XLogP4.56
TPSA71.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.52
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-N,4-N-diethyl-6-(2-ethylpiperidin-1-yl)pyrimidine-4,5-diamine
CID 19136715
4-N-benzyl-6-N,6-N-diethyl-4-N-pyridin-2-ylpyrimidine-4,5,6-triamine
CID 19136839
4-N-benzyl-6-[4-(4-methoxyphenyl)piperazin-1-yl]-4-N-pyridin-2-ylpyrimidine-4,5-diamine
CID 19139005
4-(2-ethylpiperidin-1-yl)-6-(2-phenylhydrazinyl)pyrimidin-5-amine
CID 19140445
4-(2-ethylpiperidin-1-yl)-6-(2-methoxyphenoxy)pyrimidin-5-amine
CID 19140576
4-N-benzyl-6-N-(2-methoxyethyl)-4-N-pyridin-2-ylpyrimidine-4,5,6-triamine
CID 19150486
6-(azepan-1-yl)-4-N-benzyl-4-N-methylpyrimidine-4,5-diamine
CID 22539519
6-(2-ethylpiperidin-1-yl)-4-N-(4-phenoxyphenyl)pyrimidine-4,5-diamine
CID 19140566
4-(2-ethylpiperidin-1-yl)-6-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidin-5-amine
CID 19140549
N-benzyl-2-(2-ethylpiperidin-1-yl)-N-methylpyrimidin-4-amine
CID 112890842
4-N-benzyl-6-N-(2,3-dimethylphenyl)-4-N-pyridin-2-ylpyrimidine-4,5,6-triamine
CID 19143230
N-benzyl-6-(2,3-dihydroindol-1-yl)-5-nitro-N-pyridin-2-ylpyrimidin-4-amine
CID 23481848

Frequently Asked Questions

What is the IUPAC name of 4-N-benzyl-6-(2-ethylpiperidin-1-yl)-4-N-pyridin-2-ylpyrimidine-4,5-diamine?
The IUPAC name of 4-N-benzyl-6-(2-ethylpiperidin-1-yl)-4-N-pyridin-2-ylpyrimidine-4,5-diamine (CID 19140544) is 4-N-benzyl-6-(2-ethylpiperidin-1-yl)-4-N-pyridin-2-ylpyrimidine-4,5-diamine.
What is the SMILES notation for 4-N-benzyl-6-(2-ethylpiperidin-1-yl)-4-N-pyridin-2-ylpyrimidine-4,5-diamine?
The canonical SMILES for 4-N-benzyl-6-(2-ethylpiperidin-1-yl)-4-N-pyridin-2-ylpyrimidine-4,5-diamine is CCC1CCCCN1c1ncnc(N(Cc2ccccc2)c2ccccn2)c1N.
What is the InChIKey of 4-N-benzyl-6-(2-ethylpiperidin-1-yl)-4-N-pyridin-2-ylpyrimidine-4,5-diamine?
The InChIKey is TWTKDFIXZHRTGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6/c1-2-19-12-7-9-15-28(19)22-21(24)23(27-17-26-22)29(20-13-6-8-14-25-20)16-18-10-4-3-5-11-18/h3-6,8,10-11,13-14,17,19H,2,7,9,12,15-16,24H2,1H3.
What are the key properties of 4-N-benzyl-6-(2-ethylpiperidin-1-yl)-4-N-pyridin-2-ylpyrimidine-4,5-diamine?
4-N-benzyl-6-(2-ethylpiperidin-1-yl)-4-N-pyridin-2-ylpyrimidine-4,5-diamine has a molecular weight of 388.52 g/mol, XLogP of 4.56, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-benzyl-6-(2-ethylpiperidin-1-yl)-4-N-pyridin-2-ylpyrimidine-4,5-diamine is sourced from PubChem (CID 19140544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).