(4-methylpiperidin-1-yl)-[6-methyl-2-(2-propan-2-yloxyanilino)pyrimidin-4-yl]methanone

C21H28N4O2 — CID 109323210

IUPAC(4-methylpiperidin-1-yl)-[6-methyl-2-(2-propan-2-yloxyanilino)pyrimidin-4-yl]methanone
SMILESCc1cc(C(=O)N2CCC(C)CC2)nc(Nc2ccccc2OC(C)C)n1
InChIInChI=1S/C21H28N4O2/c1-14(2)27-19-8-6-5-7-17(19)23-21-22-16(4)13-18(24-21)20(26)25-11-9-15(3)10-12-25/h5-8,13-15H,9-12H2,1-4H3,(H,22,23,24)
InChIKeyUMCZOUOVHHLIRY-UHFFFAOYSA-N
MW368.48 g/mol
LogP4.19
Rot. Bonds5

About (4-methylpiperidin-1-yl)-[6-methyl-2-(2-propan-2-yloxyanilino)pyrimidin-4-yl]methanone

(4-methylpiperidin-1-yl)-[6-methyl-2-(2-propan-2-yloxyanilino)pyrimidin-4-yl]methanone (PubChem CID 109323210) has the molecular formula C21H28N4O2 and a molecular weight of 368.48 g/mol. Its IUPAC name is (4-methylpiperidin-1-yl)-[6-methyl-2-(2-propan-2-yloxyanilino)pyrimidin-4-yl]methanone.

Molecular Properties

Compound Name(4-methylpiperidin-1-yl)-[6-methyl-2-(2-propan-2-yloxyanilino)pyrimidin-4-yl]methanone
PubChem CID109323210
Molecular FormulaC21H28N4O2
Molecular Weight368.48 g/mol
Exact Mass368.22
IUPAC Name(4-methylpiperidin-1-yl)-[6-methyl-2-(2-propan-2-yloxyanilino)pyrimidin-4-yl]methanone
SMILESCc1cc(C(=O)N2CCC(C)CC2)nc(Nc2ccccc2OC(C)C)n1
InChIInChI=1S/C21H28N4O2/c1-14(2)27-19-8-6-5-7-17(19)23-21-22-16(4)13-18(24-21)20(26)25-11-9-15(3)10-12-25/h5-8,13-15H,9-12H2,1-4H3,(H,22,23,24)
InChIKeyUMCZOUOVHHLIRY-UHFFFAOYSA-N
XLogP4.19
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-methylpiperidin-1-yl)-[5-(2-propan-2-yloxyanilino)-2-pyridinyl]methanone
CID 109183358
(4-methylpiperidin-1-yl)-[6-methyl-2-(quinolin-8-ylamino)pyrimidin-4-yl]methanone
CID 109323235
6-methyl-N-(2-methylphenyl)-2-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 109334845
[2-[2-(2-methoxyphenyl)ethylamino]-6-methylpyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 109323130
azepan-1-yl-[2-methyl-6-(2-propan-2-yloxyanilino)pyrimidin-4-yl]methanone
CID 112847805
[2-(2-methoxyanilino)pyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 109299249
[2-(2-ethoxyanilino)-6-methylpyrimidin-4-yl]-(4-ethylpiperazin-1-yl)methanone
CID 109326236
[6-methyl-2-(2-methylanilino)pyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 109325918
3-(4-methylpiperidin-1-yl)-3-oxo-N-(2-propan-2-yloxyphenyl)propanamide
CID 108942808
[2-(2-tert-butylanilino)-6-methylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone
CID 109321826
(4-methylpiperidin-1-yl)-[2-(2-propan-2-ylanilino)pyrimidin-4-yl]methanone
CID 109299227
N-butyl-N,6-dimethyl-2-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 109333690

Frequently Asked Questions

What is the IUPAC name of (4-methylpiperidin-1-yl)-[6-methyl-2-(2-propan-2-yloxyanilino)pyrimidin-4-yl]methanone?
The IUPAC name of (4-methylpiperidin-1-yl)-[6-methyl-2-(2-propan-2-yloxyanilino)pyrimidin-4-yl]methanone (CID 109323210) is (4-methylpiperidin-1-yl)-[6-methyl-2-(2-propan-2-yloxyanilino)pyrimidin-4-yl]methanone.
What is the SMILES notation for (4-methylpiperidin-1-yl)-[6-methyl-2-(2-propan-2-yloxyanilino)pyrimidin-4-yl]methanone?
The canonical SMILES for (4-methylpiperidin-1-yl)-[6-methyl-2-(2-propan-2-yloxyanilino)pyrimidin-4-yl]methanone is Cc1cc(C(=O)N2CCC(C)CC2)nc(Nc2ccccc2OC(C)C)n1.
What is the InChIKey of (4-methylpiperidin-1-yl)-[6-methyl-2-(2-propan-2-yloxyanilino)pyrimidin-4-yl]methanone?
The InChIKey is UMCZOUOVHHLIRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O2/c1-14(2)27-19-8-6-5-7-17(19)23-21-22-16(4)13-18(24-21)20(26)25-11-9-15(3)10-12-25/h5-8,13-15H,9-12H2,1-4H3,(H,22,23,24).
What are the key properties of (4-methylpiperidin-1-yl)-[6-methyl-2-(2-propan-2-yloxyanilino)pyrimidin-4-yl]methanone?
(4-methylpiperidin-1-yl)-[6-methyl-2-(2-propan-2-yloxyanilino)pyrimidin-4-yl]methanone has a molecular weight of 368.48 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperidin-1-yl)-[6-methyl-2-(2-propan-2-yloxyanilino)pyrimidin-4-yl]methanone is sourced from PubChem (CID 109323210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).