[6-(2-methyl-6-propan-2-ylanilino)pyrimidin-4-yl]-piperidin-1-ylmethanone

C20H26N4O — CID 109341722

IUPAC[6-(2-methyl-6-propan-2-ylanilino)pyrimidin-4-yl]-piperidin-1-ylmethanone
SMILESCc1cccc(C(C)C)c1Nc1cc(C(=O)N2CCCCC2)ncn1
InChIInChI=1S/C20H26N4O/c1-14(2)16-9-7-8-15(3)19(16)23-18-12-17(21-13-22-18)20(25)24-10-5-4-6-11-24/h7-9,12-14H,4-6,10-11H2,1-3H3,(H,21,22,23)
InChIKeyOWVQGVPVGVOXKP-UHFFFAOYSA-N
MW338.46 g/mol
LogP4.28
Rot. Bonds4

About [6-(2-methyl-6-propan-2-ylanilino)pyrimidin-4-yl]-piperidin-1-ylmethanone

[6-(2-methyl-6-propan-2-ylanilino)pyrimidin-4-yl]-piperidin-1-ylmethanone (PubChem CID 109341722) has the molecular formula C20H26N4O and a molecular weight of 338.46 g/mol. Its IUPAC name is [6-(2-methyl-6-propan-2-ylanilino)pyrimidin-4-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[6-(2-methyl-6-propan-2-ylanilino)pyrimidin-4-yl]-piperidin-1-ylmethanone
PubChem CID109341722
Molecular FormulaC20H26N4O
Molecular Weight338.46 g/mol
Exact Mass338.21
IUPAC Name[6-(2-methyl-6-propan-2-ylanilino)pyrimidin-4-yl]-piperidin-1-ylmethanone
SMILESCc1cccc(C(C)C)c1Nc1cc(C(=O)N2CCCCC2)ncn1
InChIInChI=1S/C20H26N4O/c1-14(2)16-9-7-8-15(3)19(16)23-18-12-17(21-13-22-18)20(25)24-10-5-4-6-11-24/h7-9,12-14H,4-6,10-11H2,1-3H3,(H,21,22,23)
InChIKeyOWVQGVPVGVOXKP-UHFFFAOYSA-N
XLogP4.28
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(2-methyl-6-propan-2-ylanilino)pyrazin-2-yl]-piperidin-1-ylmethanone
CID 109274363
6-(2-methyl-6-propan-2-ylanilino)-N-(2-methylpropyl)pyrimidine-4-carboxamide
CID 109340486
N-butan-2-yl-6-(2-methyl-6-propan-2-ylanilino)pyrimidine-4-carboxamide
CID 109340865
[2-(2-methyl-6-propan-2-ylanilino)pyrimidin-5-yl]-pyrrolidin-1-ylmethanone
CID 109249307
[6-(2,6-dimethylanilino)pyrimidin-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109352129
6-(2-methyl-6-propan-2-ylanilino)-N-propylpyrimidine-4-carboxamide
CID 109338546
[6-(2,4-dimethylanilino)pyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109341708
N-[3-[[6-(azepane-1-carbonyl)pyrimidin-4-yl]amino]phenyl]acetamide
CID 109355648
[6-[(2-methylphenyl)methylamino]pyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109341636
[6-(2,3-dimethylanilino)pyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 109345153
[6-(3-bromoanilino)pyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109341775
[6-(3-chloroanilino)pyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109341728

Frequently Asked Questions

What is the IUPAC name of [6-(2-methyl-6-propan-2-ylanilino)pyrimidin-4-yl]-piperidin-1-ylmethanone?
The IUPAC name of [6-(2-methyl-6-propan-2-ylanilino)pyrimidin-4-yl]-piperidin-1-ylmethanone (CID 109341722) is [6-(2-methyl-6-propan-2-ylanilino)pyrimidin-4-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [6-(2-methyl-6-propan-2-ylanilino)pyrimidin-4-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [6-(2-methyl-6-propan-2-ylanilino)pyrimidin-4-yl]-piperidin-1-ylmethanone is Cc1cccc(C(C)C)c1Nc1cc(C(=O)N2CCCCC2)ncn1.
What is the InChIKey of [6-(2-methyl-6-propan-2-ylanilino)pyrimidin-4-yl]-piperidin-1-ylmethanone?
The InChIKey is OWVQGVPVGVOXKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c1-14(2)16-9-7-8-15(3)19(16)23-18-12-17(21-13-22-18)20(25)24-10-5-4-6-11-24/h7-9,12-14H,4-6,10-11H2,1-3H3,(H,21,22,23).
What are the key properties of [6-(2-methyl-6-propan-2-ylanilino)pyrimidin-4-yl]-piperidin-1-ylmethanone?
[6-(2-methyl-6-propan-2-ylanilino)pyrimidin-4-yl]-piperidin-1-ylmethanone has a molecular weight of 338.46 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2-methyl-6-propan-2-ylanilino)pyrimidin-4-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 109341722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).