[2-(2-methyl-6-propan-2-ylanilino)pyrimidin-5-yl]-pyrrolidin-1-ylmethanone

C19H24N4O — CID 109249307

IUPAC[2-(2-methyl-6-propan-2-ylanilino)pyrimidin-5-yl]-pyrrolidin-1-ylmethanone
SMILESCc1cccc(C(C)C)c1Nc1ncc(C(=O)N2CCCC2)cn1
InChIInChI=1S/C19H24N4O/c1-13(2)16-8-6-7-14(3)17(16)22-19-20-11-15(12-21-19)18(24)23-9-4-5-10-23/h6-8,11-13H,4-5,9-10H2,1-3H3,(H,20,21,22)
InChIKeyGASFBXGMUIPEBP-UHFFFAOYSA-N
MW324.43 g/mol
LogP3.89
Rot. Bonds4

About [2-(2-methyl-6-propan-2-ylanilino)pyrimidin-5-yl]-pyrrolidin-1-ylmethanone

[2-(2-methyl-6-propan-2-ylanilino)pyrimidin-5-yl]-pyrrolidin-1-ylmethanone (PubChem CID 109249307) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is [2-(2-methyl-6-propan-2-ylanilino)pyrimidin-5-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[2-(2-methyl-6-propan-2-ylanilino)pyrimidin-5-yl]-pyrrolidin-1-ylmethanone
PubChem CID109249307
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC Name[2-(2-methyl-6-propan-2-ylanilino)pyrimidin-5-yl]-pyrrolidin-1-ylmethanone
SMILESCc1cccc(C(C)C)c1Nc1ncc(C(=O)N2CCCC2)cn1
InChIInChI=1S/C19H24N4O/c1-13(2)16-8-6-7-14(3)17(16)22-19-20-11-15(12-21-19)18(24)23-9-4-5-10-23/h6-8,11-13H,4-5,9-10H2,1-3H3,(H,20,21,22)
InChIKeyGASFBXGMUIPEBP-UHFFFAOYSA-N
XLogP3.89
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2-ethyl-6-methylanilino)pyrimidin-5-yl]-piperidin-1-ylmethanone
CID 109249998
[5-(2-methyl-6-propan-2-ylanilino)pyrazin-2-yl]-piperidin-1-ylmethanone
CID 109274363
N-cyclopentyl-2-(2-methyl-6-propan-2-ylanilino)pyrimidine-5-carboxamide
CID 109249626
[6-(2-methyl-6-propan-2-ylanilino)pyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109341722
[2-(2,6-dimethylanilino)pyrimidin-5-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109261125
2-(2-methyl-6-propan-2-ylanilino)-N-(2-methylpropyl)pyrimidine-5-carboxamide
CID 109248539
N-(2-chlorophenyl)-2-(2-methyl-6-propan-2-ylanilino)pyrimidine-5-carboxamide
CID 109268171
2-(2-methyl-6-propan-2-ylanilino)-N-prop-2-enylpyrimidine-5-carboxamide
CID 109247761
N-(4-chlorophenyl)-2-(2-methyl-6-propan-2-ylanilino)pyrimidine-5-carboxamide
CID 109268173
[2-(2-ethyl-6-methylanilino)pyrimidin-5-yl]-(3-methylpiperidin-1-yl)methanone
CID 109264337
[2-(3-methylanilino)pyrimidin-5-yl]-piperidin-1-ylmethanone
CID 109249984
2-(2,6-difluoroanilino)-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-5-carboxamide
CID 109268166

Frequently Asked Questions

What is the IUPAC name of [2-(2-methyl-6-propan-2-ylanilino)pyrimidin-5-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [2-(2-methyl-6-propan-2-ylanilino)pyrimidin-5-yl]-pyrrolidin-1-ylmethanone (CID 109249307) is [2-(2-methyl-6-propan-2-ylanilino)pyrimidin-5-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [2-(2-methyl-6-propan-2-ylanilino)pyrimidin-5-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [2-(2-methyl-6-propan-2-ylanilino)pyrimidin-5-yl]-pyrrolidin-1-ylmethanone is Cc1cccc(C(C)C)c1Nc1ncc(C(=O)N2CCCC2)cn1.
What is the InChIKey of [2-(2-methyl-6-propan-2-ylanilino)pyrimidin-5-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is GASFBXGMUIPEBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O/c1-13(2)16-8-6-7-14(3)17(16)22-19-20-11-15(12-21-19)18(24)23-9-4-5-10-23/h6-8,11-13H,4-5,9-10H2,1-3H3,(H,20,21,22).
What are the key properties of [2-(2-methyl-6-propan-2-ylanilino)pyrimidin-5-yl]-pyrrolidin-1-ylmethanone?
[2-(2-methyl-6-propan-2-ylanilino)pyrimidin-5-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 324.43 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methyl-6-propan-2-ylanilino)pyrimidin-5-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 109249307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).