(4-methylpiperidin-1-yl)-[6-(2-methylpropylamino)-2-phenylpyrimidin-4-yl]methanone

C21H28N4O — CID 112852344

IUPAC(4-methylpiperidin-1-yl)-[6-(2-methylpropylamino)-2-phenylpyrimidin-4-yl]methanone
SMILESCC(C)CNc1cc(C(=O)N2CCC(C)CC2)nc(-c2ccccc2)n1
InChIInChI=1S/C21H28N4O/c1-15(2)14-22-19-13-18(21(26)25-11-9-16(3)10-12-25)23-20(24-19)17-7-5-4-6-8-17/h4-8,13,15-16H,9-12,14H2,1-3H3,(H,22,23,24)
InChIKeyFCYFYJCCHYQJBD-UHFFFAOYSA-N
MW352.48 g/mol
LogP4.08
Rot. Bonds5

About (4-methylpiperidin-1-yl)-[6-(2-methylpropylamino)-2-phenylpyrimidin-4-yl]methanone

(4-methylpiperidin-1-yl)-[6-(2-methylpropylamino)-2-phenylpyrimidin-4-yl]methanone (PubChem CID 112852344) has the molecular formula C21H28N4O and a molecular weight of 352.48 g/mol. Its IUPAC name is (4-methylpiperidin-1-yl)-[6-(2-methylpropylamino)-2-phenylpyrimidin-4-yl]methanone.

Molecular Properties

Compound Name(4-methylpiperidin-1-yl)-[6-(2-methylpropylamino)-2-phenylpyrimidin-4-yl]methanone
PubChem CID112852344
Molecular FormulaC21H28N4O
Molecular Weight352.48 g/mol
Exact Mass352.23
IUPAC Name(4-methylpiperidin-1-yl)-[6-(2-methylpropylamino)-2-phenylpyrimidin-4-yl]methanone
SMILESCC(C)CNc1cc(C(=O)N2CCC(C)CC2)nc(-c2ccccc2)n1
InChIInChI=1S/C21H28N4O/c1-15(2)14-22-19-13-18(21(26)25-11-9-16(3)10-12-25)23-20(24-19)17-7-5-4-6-8-17/h4-8,13,15-16H,9-12,14H2,1-3H3,(H,22,23,24)
InChIKeyFCYFYJCCHYQJBD-UHFFFAOYSA-N
XLogP4.08
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 ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[6-(2-methylpropylamino)-2-phenylpyrimidin-4-yl]-morpholin-4-ylmethanone
CID 112852347
(6-anilino-2-phenylpyrimidin-4-yl)-(4-methylpiperidin-1-yl)methanone
CID 112853073
azepan-1-yl-[6-(3-methylbutylamino)-2-phenylpyrimidin-4-yl]methanone
CID 112854359
[6-(3-methylbutylamino)-2-phenylpyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 112853813
6-(2-methylpropylamino)-2-phenyl-N-propan-2-ylpyrimidine-4-carboxamide
CID 112851582
1-[4-[6-(cyclopropylamino)-2-phenylpyrimidine-4-carbonyl]piperazin-1-yl]ethanone
CID 112851714
[6-(benzylamino)-2-methylpyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 109364262
1-[4-[6-(2-methylpropylamino)-2-phenylpyrimidin-4-yl]piperazin-1-yl]ethanone
CID 112879786
[6-(cyclopropylamino)-2-phenylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone
CID 112851698
(3-methylpiperidin-1-yl)-[2-phenyl-6-(pyridin-4-ylmethylamino)pyrimidin-4-yl]methanone
CID 112854128
morpholin-4-yl-[2-phenyl-6-(propylamino)pyrimidin-4-yl]methanone
CID 112851244
(4-ethylpiperazin-1-yl)-[6-(oxolan-2-ylmethylamino)-2-phenylpyrimidin-4-yl]methanone
CID 112853533

Frequently Asked Questions

What is the IUPAC name of (4-methylpiperidin-1-yl)-[6-(2-methylpropylamino)-2-phenylpyrimidin-4-yl]methanone?
The IUPAC name of (4-methylpiperidin-1-yl)-[6-(2-methylpropylamino)-2-phenylpyrimidin-4-yl]methanone (CID 112852344) is (4-methylpiperidin-1-yl)-[6-(2-methylpropylamino)-2-phenylpyrimidin-4-yl]methanone.
What is the SMILES notation for (4-methylpiperidin-1-yl)-[6-(2-methylpropylamino)-2-phenylpyrimidin-4-yl]methanone?
The canonical SMILES for (4-methylpiperidin-1-yl)-[6-(2-methylpropylamino)-2-phenylpyrimidin-4-yl]methanone is CC(C)CNc1cc(C(=O)N2CCC(C)CC2)nc(-c2ccccc2)n1.
What is the InChIKey of (4-methylpiperidin-1-yl)-[6-(2-methylpropylamino)-2-phenylpyrimidin-4-yl]methanone?
The InChIKey is FCYFYJCCHYQJBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O/c1-15(2)14-22-19-13-18(21(26)25-11-9-16(3)10-12-25)23-20(24-19)17-7-5-4-6-8-17/h4-8,13,15-16H,9-12,14H2,1-3H3,(H,22,23,24).
What are the key properties of (4-methylpiperidin-1-yl)-[6-(2-methylpropylamino)-2-phenylpyrimidin-4-yl]methanone?
(4-methylpiperidin-1-yl)-[6-(2-methylpropylamino)-2-phenylpyrimidin-4-yl]methanone has a molecular weight of 352.48 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperidin-1-yl)-[6-(2-methylpropylamino)-2-phenylpyrimidin-4-yl]methanone is sourced from PubChem (CID 112852344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).