[6-(cycloheptylamino)pyrimidin-4-yl]-(2-ethylpiperidin-1-yl)methanone

C19H30N4O — CID 109353967

IUPAC[6-(cycloheptylamino)pyrimidin-4-yl]-(2-ethylpiperidin-1-yl)methanone
SMILESCCC1CCCCN1C(=O)c1cc(NC2CCCCCC2)ncn1
InChIInChI=1S/C19H30N4O/c1-2-16-11-7-8-12-23(16)19(24)17-13-18(21-14-20-17)22-15-9-5-3-4-6-10-15/h13-16H,2-12H2,1H3,(H,20,21,22)
InChIKeySPOMWSTYFSLHNW-UHFFFAOYSA-N
MW330.48 g/mol
LogP4.02
Rot. Bonds4

About [6-(cycloheptylamino)pyrimidin-4-yl]-(2-ethylpiperidin-1-yl)methanone

[6-(cycloheptylamino)pyrimidin-4-yl]-(2-ethylpiperidin-1-yl)methanone (PubChem CID 109353967) has the molecular formula C19H30N4O and a molecular weight of 330.48 g/mol. Its IUPAC name is [6-(cycloheptylamino)pyrimidin-4-yl]-(2-ethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[6-(cycloheptylamino)pyrimidin-4-yl]-(2-ethylpiperidin-1-yl)methanone
PubChem CID109353967
Molecular FormulaC19H30N4O
Molecular Weight330.48 g/mol
Exact Mass330.24
IUPAC Name[6-(cycloheptylamino)pyrimidin-4-yl]-(2-ethylpiperidin-1-yl)methanone
SMILESCCC1CCCCN1C(=O)c1cc(NC2CCCCCC2)ncn1
InChIInChI=1S/C19H30N4O/c1-2-16-11-7-8-12-23(16)19(24)17-13-18(21-14-20-17)22-15-9-5-3-4-6-10-15/h13-16H,2-12H2,1H3,(H,20,21,22)
InChIKeySPOMWSTYFSLHNW-UHFFFAOYSA-N
XLogP4.02
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.48
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[6-(cyclopentylamino)pyrimidin-4-yl]-(2-ethylpiperidin-1-yl)methanone
CID 109341271
[6-(3,5-dimethylanilino)pyrimidin-4-yl]-(2-ethylpiperidin-1-yl)methanone
CID 109354967
[6-(4-chloroanilino)pyrimidin-4-yl]-(2-ethylpiperidin-1-yl)methanone
CID 109354979
[6-(cyclopentylamino)pyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109341196
[6-(4-ethoxyanilino)pyrimidin-4-yl]-(2-ethylpiperidin-1-yl)methanone
CID 109354992
[6-(3,4-dimethoxyanilino)pyrimidin-4-yl]-(2-ethylpiperidin-1-yl)methanone
CID 109354998
(2-ethylpiperidin-1-yl)-[6-(2-methoxyanilino)pyrimidin-4-yl]methanone
CID 109354988
(2-ethylpiperidin-1-yl)-[6-(2-propan-2-ylanilino)pyrimidin-4-yl]methanone
CID 109354973
[2-(cyclohexylamino)-6-methylpyrimidin-4-yl]-(2-ethylpiperidin-1-yl)methanone
CID 109322683
[5-(cyclohexylamino)-2-pyridinyl]-(2-ethylpiperidin-1-yl)methanone
CID 109183135
[6-(cyclopropylamino)-3-pyridinyl]-[(2R)-2-ethylpiperidin-1-yl]methanone
CID 97314114
[2-(cyclohexylamino)pyrimidin-5-yl]-(2-ethylpiperidin-1-yl)methanone
CID 109250530

Frequently Asked Questions

What is the IUPAC name of [6-(cycloheptylamino)pyrimidin-4-yl]-(2-ethylpiperidin-1-yl)methanone?
The IUPAC name of [6-(cycloheptylamino)pyrimidin-4-yl]-(2-ethylpiperidin-1-yl)methanone (CID 109353967) is [6-(cycloheptylamino)pyrimidin-4-yl]-(2-ethylpiperidin-1-yl)methanone.
What is the SMILES notation for [6-(cycloheptylamino)pyrimidin-4-yl]-(2-ethylpiperidin-1-yl)methanone?
The canonical SMILES for [6-(cycloheptylamino)pyrimidin-4-yl]-(2-ethylpiperidin-1-yl)methanone is CCC1CCCCN1C(=O)c1cc(NC2CCCCCC2)ncn1.
What is the InChIKey of [6-(cycloheptylamino)pyrimidin-4-yl]-(2-ethylpiperidin-1-yl)methanone?
The InChIKey is SPOMWSTYFSLHNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O/c1-2-16-11-7-8-12-23(16)19(24)17-13-18(21-14-20-17)22-15-9-5-3-4-6-10-15/h13-16H,2-12H2,1H3,(H,20,21,22).
What are the key properties of [6-(cycloheptylamino)pyrimidin-4-yl]-(2-ethylpiperidin-1-yl)methanone?
[6-(cycloheptylamino)pyrimidin-4-yl]-(2-ethylpiperidin-1-yl)methanone has a molecular weight of 330.48 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(cycloheptylamino)pyrimidin-4-yl]-(2-ethylpiperidin-1-yl)methanone is sourced from PubChem (CID 109353967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).