2-(2-ethylpiperidin-1-yl)-6-phenyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine

C23H27N5 — CID 112937236

IUPAC2-(2-ethylpiperidin-1-yl)-6-phenyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
SMILESCCC1CCCCN1c1nc(NCc2cccnc2)cc(-c2ccccc2)n1
InChIInChI=1S/C23H27N5/c1-2-20-12-6-7-14-28(20)23-26-21(19-10-4-3-5-11-19)15-22(27-23)25-17-18-9-8-13-24-16-18/h3-5,8-11,13,15-16,20H,2,6-7,12,14,17H2,1H3,(H,25,26,27)
InChIKeyMTOKYFFPWHZNLG-UHFFFAOYSA-N
MW373.50 g/mol
LogP4.92
Rot. Bonds6

About 2-(2-ethylpiperidin-1-yl)-6-phenyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine

2-(2-ethylpiperidin-1-yl)-6-phenyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine (PubChem CID 112937236) has the molecular formula C23H27N5 and a molecular weight of 373.50 g/mol. Its IUPAC name is 2-(2-ethylpiperidin-1-yl)-6-phenyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-(2-ethylpiperidin-1-yl)-6-phenyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
PubChem CID112937236
Molecular FormulaC23H27N5
Molecular Weight373.50 g/mol
Exact Mass373.23
IUPAC Name2-(2-ethylpiperidin-1-yl)-6-phenyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
SMILESCCC1CCCCN1c1nc(NCc2cccnc2)cc(-c2ccccc2)n1
InChIInChI=1S/C23H27N5/c1-2-20-12-6-7-14-28(20)23-26-21(19-10-4-3-5-11-19)15-22(27-23)25-17-18-9-8-13-24-16-18/h3-5,8-11,13,15-16,20H,2,6-7,12,14,17H2,1H3,(H,25,26,27)
InChIKeyMTOKYFFPWHZNLG-UHFFFAOYSA-N
XLogP4.92
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-methylpiperazin-1-yl)-6-phenyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
CID 112936355
N-benzyl-3-(2-ethylpiperidin-1-yl)-1,2,4-triazin-5-amine
CID 112947575
2-morpholin-4-yl-6-phenyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
CID 112935500
2-(2-ethylpiperidin-1-yl)-6-methyl-N-(pyridin-4-ylmethyl)pyrimidin-4-amine
CID 112919761
2-N-cyclopentyl-6-phenyl-4-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 112934432
4-[4-phenyl-6-(pyridin-3-ylmethylamino)pyrimidin-2-yl]piperazine-1-carbaldehyde
CID 112936616
3-(2-ethylpiperidin-1-yl)-N-(pyridin-4-ylmethyl)-1,2,4-triazin-5-amine
CID 112952514
2-(2-ethylpiperidin-1-yl)-N-[(4-fluorophenyl)methyl]-6-methylpyrimidin-4-amine
CID 112917516
N-benzyl-4-(2-ethylpiperidin-1-yl)pyrimidin-2-amine
CID 112889620
6-N-benzyl-2-phenyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine
CID 112881219
N-benzyl-2-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-4-amine
CID 112936341
6-N-butyl-2-phenyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine
CID 112879729

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylpiperidin-1-yl)-6-phenyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine?
The IUPAC name of 2-(2-ethylpiperidin-1-yl)-6-phenyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine (CID 112937236) is 2-(2-ethylpiperidin-1-yl)-6-phenyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 2-(2-ethylpiperidin-1-yl)-6-phenyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for 2-(2-ethylpiperidin-1-yl)-6-phenyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine is CCC1CCCCN1c1nc(NCc2cccnc2)cc(-c2ccccc2)n1.
What is the InChIKey of 2-(2-ethylpiperidin-1-yl)-6-phenyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine?
The InChIKey is MTOKYFFPWHZNLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5/c1-2-20-12-6-7-14-28(20)23-26-21(19-10-4-3-5-11-19)15-22(27-23)25-17-18-9-8-13-24-16-18/h3-5,8-11,13,15-16,20H,2,6-7,12,14,17H2,1H3,(H,25,26,27).
What are the key properties of 2-(2-ethylpiperidin-1-yl)-6-phenyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine?
2-(2-ethylpiperidin-1-yl)-6-phenyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine has a molecular weight of 373.50 g/mol, XLogP of 4.92, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylpiperidin-1-yl)-6-phenyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 112937236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).