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

C17H23N5 — CID 112893334

IUPAC4-(2-ethylpiperidin-1-yl)-N-(pyridin-2-ylmethyl)pyrimidin-2-amine
SMILESCCC1CCCCN1c1ccnc(NCc2ccccn2)n1
InChIInChI=1S/C17H23N5/c1-2-15-8-4-6-12-22(15)16-9-11-19-17(21-16)20-13-14-7-3-5-10-18-14/h3,5,7,9-11,15H,2,4,6,8,12-13H2,1H3,(H,19,20,21)
InChIKeySMMCEKVJFGMSBT-UHFFFAOYSA-N
MW297.41 g/mol
LogP3.25
Rot. Bonds5

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

4-(2-ethylpiperidin-1-yl)-N-(pyridin-2-ylmethyl)pyrimidin-2-amine (PubChem CID 112893334) has the molecular formula C17H23N5 and a molecular weight of 297.41 g/mol. Its IUPAC name is 4-(2-ethylpiperidin-1-yl)-N-(pyridin-2-ylmethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(2-ethylpiperidin-1-yl)-N-(pyridin-2-ylmethyl)pyrimidin-2-amine
PubChem CID112893334
Molecular FormulaC17H23N5
Molecular Weight297.41 g/mol
Exact Mass297.20
IUPAC Name4-(2-ethylpiperidin-1-yl)-N-(pyridin-2-ylmethyl)pyrimidin-2-amine
SMILESCCC1CCCCN1c1ccnc(NCc2ccccn2)n1
InChIInChI=1S/C17H23N5/c1-2-15-8-4-6-12-22(15)16-9-11-19-17(21-16)20-13-14-7-3-5-10-18-14/h3,5,7,9-11,15H,2,4,6,8,12-13H2,1H3,(H,19,20,21)
InChIKeySMMCEKVJFGMSBT-UHFFFAOYSA-N
XLogP3.25
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.41
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-4-(2-ethylpiperidin-1-yl)pyrimidin-2-amine
CID 112889620
N-[4-(2-ethylpiperidin-1-yl)pyrimidin-2-yl]-N',N'-dimethylethane-1,2-diamine
CID 112887183
N-[4-(2-ethylpiperidin-1-yl)pyrimidin-2-yl]-N',N'-dimethylpropane-1,3-diamine
CID 112887792
N-(pyridin-2-ylmethyl)-4-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine
CID 112893321
N-(2,4-dimethylphenyl)-4-(2-ethylpiperidin-1-yl)pyrimidin-2-amine
CID 112900838
N-ethyl-4-(2-ethylpiperidin-1-yl)-N-phenylpyrimidin-2-amine
CID 112900846
N-ethyl-4-(2-methylpiperidin-1-yl)pyrimidin-2-amine
CID 80766699
N-[[6-(2-ethylpiperidin-1-yl)-2-pyridinyl]methyl]propan-2-amine
CID 62278840
3-phenyl-4-[2-(pyridin-2-ylmethylamino)pyrimidin-4-yl]piperazin-2-one
CID 10286949
4-N,4-N-diethyl-1-N-[4-(2-ethylpiperidin-1-yl)pyrimidin-2-yl]-2-methylbenzene-1,4-diamine
CID 112900923
4-(2-ethylpiperidin-1-yl)-N-(furan-2-ylmethyl)-6-methylpyrimidin-2-amine
CID 112915344
4-(2-methylazepan-1-yl)-N-propylpyrimidin-2-amine
CID 80835435

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethylpiperidin-1-yl)-N-(pyridin-2-ylmethyl)pyrimidin-2-amine?
The IUPAC name of 4-(2-ethylpiperidin-1-yl)-N-(pyridin-2-ylmethyl)pyrimidin-2-amine (CID 112893334) is 4-(2-ethylpiperidin-1-yl)-N-(pyridin-2-ylmethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(2-ethylpiperidin-1-yl)-N-(pyridin-2-ylmethyl)pyrimidin-2-amine?
The canonical SMILES for 4-(2-ethylpiperidin-1-yl)-N-(pyridin-2-ylmethyl)pyrimidin-2-amine is CCC1CCCCN1c1ccnc(NCc2ccccn2)n1.
What is the InChIKey of 4-(2-ethylpiperidin-1-yl)-N-(pyridin-2-ylmethyl)pyrimidin-2-amine?
The InChIKey is SMMCEKVJFGMSBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5/c1-2-15-8-4-6-12-22(15)16-9-11-19-17(21-16)20-13-14-7-3-5-10-18-14/h3,5,7,9-11,15H,2,4,6,8,12-13H2,1H3,(H,19,20,21).
What are the key properties of 4-(2-ethylpiperidin-1-yl)-N-(pyridin-2-ylmethyl)pyrimidin-2-amine?
4-(2-ethylpiperidin-1-yl)-N-(pyridin-2-ylmethyl)pyrimidin-2-amine has a molecular weight of 297.41 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethylpiperidin-1-yl)-N-(pyridin-2-ylmethyl)pyrimidin-2-amine is sourced from PubChem (CID 112893334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).