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

C21H28N4O — CID 109354973

IUPAC(2-ethylpiperidin-1-yl)-[6-(2-propan-2-ylanilino)pyrimidin-4-yl]methanone
SMILESCCC1CCCCN1C(=O)c1cc(Nc2ccccc2C(C)C)ncn1
InChIInChI=1S/C21H28N4O/c1-4-16-9-7-8-12-25(16)21(26)19-13-20(23-14-22-19)24-18-11-6-5-10-17(18)15(2)3/h5-6,10-11,13-16H,4,7-9,12H2,1-3H3,(H,22,23,24)
InChIKeySHVLDPGSXTZRLZ-UHFFFAOYSA-N
MW352.48 g/mol
LogP4.75
Rot. Bonds5

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

(2-ethylpiperidin-1-yl)-[6-(2-propan-2-ylanilino)pyrimidin-4-yl]methanone (PubChem CID 109354973) has the molecular formula C21H28N4O and a molecular weight of 352.48 g/mol. Its IUPAC name is (2-ethylpiperidin-1-yl)-[6-(2-propan-2-ylanilino)pyrimidin-4-yl]methanone.

Molecular Properties

Compound Name(2-ethylpiperidin-1-yl)-[6-(2-propan-2-ylanilino)pyrimidin-4-yl]methanone
PubChem CID109354973
Molecular FormulaC21H28N4O
Molecular Weight352.48 g/mol
Exact Mass352.23
IUPAC Name(2-ethylpiperidin-1-yl)-[6-(2-propan-2-ylanilino)pyrimidin-4-yl]methanone
SMILESCCC1CCCCN1C(=O)c1cc(Nc2ccccc2C(C)C)ncn1
InChIInChI=1S/C21H28N4O/c1-4-16-9-7-8-12-25(16)21(26)19-13-20(23-14-22-19)24-18-11-6-5-10-17(18)15(2)3/h5-6,10-11,13-16H,4,7-9,12H2,1-3H3,(H,22,23,24)
InChIKeySHVLDPGSXTZRLZ-UHFFFAOYSA-N
XLogP4.75
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-ethylpiperidin-1-yl)-[6-(2-methoxyanilino)pyrimidin-4-yl]methanone
CID 109354988
[6-(4-ethoxyanilino)pyrimidin-4-yl]-(2-ethylpiperidin-1-yl)methanone
CID 109354992
[6-(4-chloroanilino)pyrimidin-4-yl]-(2-ethylpiperidin-1-yl)methanone
CID 109354979
[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-(cycloheptylamino)pyrimidin-4-yl]-(2-ethylpiperidin-1-yl)methanone
CID 109353967
(2R)-2-ethyl-N-(2-propan-2-ylphenyl)piperidine-1-carboxamide
CID 51944426
[6-(3,4-dimethoxyanilino)pyrimidin-4-yl]-(2-ethylpiperidin-1-yl)methanone
CID 109354998
2,3-dihydroindol-1-yl-[6-(2-propan-2-ylanilino)pyrimidin-4-yl]methanone
CID 109356603
[5-(2-chloroanilino)pyrazin-2-yl]-(2-ethylpiperidin-1-yl)methanone
CID 109288522
[2-(2-bromoanilino)-4-pyridinyl]-(2-ethylpiperidin-1-yl)methanone
CID 109175669
(2-ethylpiperidin-1-yl)-[2-(2-propan-2-yloxyanilino)-4-pyridinyl]methanone
CID 109175650

Frequently Asked Questions

What is the IUPAC name of (2-ethylpiperidin-1-yl)-[6-(2-propan-2-ylanilino)pyrimidin-4-yl]methanone?
The IUPAC name of (2-ethylpiperidin-1-yl)-[6-(2-propan-2-ylanilino)pyrimidin-4-yl]methanone (CID 109354973) is (2-ethylpiperidin-1-yl)-[6-(2-propan-2-ylanilino)pyrimidin-4-yl]methanone.
What is the SMILES notation for (2-ethylpiperidin-1-yl)-[6-(2-propan-2-ylanilino)pyrimidin-4-yl]methanone?
The canonical SMILES for (2-ethylpiperidin-1-yl)-[6-(2-propan-2-ylanilino)pyrimidin-4-yl]methanone is CCC1CCCCN1C(=O)c1cc(Nc2ccccc2C(C)C)ncn1.
What is the InChIKey of (2-ethylpiperidin-1-yl)-[6-(2-propan-2-ylanilino)pyrimidin-4-yl]methanone?
The InChIKey is SHVLDPGSXTZRLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O/c1-4-16-9-7-8-12-25(16)21(26)19-13-20(23-14-22-19)24-18-11-6-5-10-17(18)15(2)3/h5-6,10-11,13-16H,4,7-9,12H2,1-3H3,(H,22,23,24).
What are the key properties of (2-ethylpiperidin-1-yl)-[6-(2-propan-2-ylanilino)pyrimidin-4-yl]methanone?
(2-ethylpiperidin-1-yl)-[6-(2-propan-2-ylanilino)pyrimidin-4-yl]methanone has a molecular weight of 352.48 g/mol, XLogP of 4.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylpiperidin-1-yl)-[6-(2-propan-2-ylanilino)pyrimidin-4-yl]methanone is sourced from PubChem (CID 109354973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).