[6-(4-methylanilino)-2-phenylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone

C22H22N4O — CID 112852761

IUPAC[6-(4-methylanilino)-2-phenylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone
SMILESCc1ccc(Nc2cc(C(=O)N3CCCC3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C22H22N4O/c1-16-9-11-18(12-10-16)23-20-15-19(22(27)26-13-5-6-14-26)24-21(25-20)17-7-3-2-4-8-17/h2-4,7-12,15H,5-6,13-14H2,1H3,(H,23,24,25)
InChIKeyJFGSJNRUWDFGIE-UHFFFAOYSA-N
MW358.45 g/mol
LogP4.43
Rot. Bonds4

About [6-(4-methylanilino)-2-phenylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone

[6-(4-methylanilino)-2-phenylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone (PubChem CID 112852761) has the molecular formula C22H22N4O and a molecular weight of 358.45 g/mol. Its IUPAC name is [6-(4-methylanilino)-2-phenylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[6-(4-methylanilino)-2-phenylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone
PubChem CID112852761
Molecular FormulaC22H22N4O
Molecular Weight358.45 g/mol
Exact Mass358.18
IUPAC Name[6-(4-methylanilino)-2-phenylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone
SMILESCc1ccc(Nc2cc(C(=O)N3CCCC3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C22H22N4O/c1-16-9-11-18(12-10-16)23-20-15-19(22(27)26-13-5-6-14-26)24-21(25-20)17-7-3-2-4-8-17/h2-4,7-12,15H,5-6,13-14H2,1H3,(H,23,24,25)
InChIKeyJFGSJNRUWDFGIE-UHFFFAOYSA-N
XLogP4.43
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[6-(4-chloroanilino)-2-phenylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone
CID 112852770
[6-[4-(dimethylamino)anilino]-2-phenylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone
CID 112852780
(6-anilino-2-phenylpyrimidin-4-yl)-(4-methylpiperidin-1-yl)methanone
CID 112853073
[6-(1,3-benzodioxol-5-ylamino)-2-phenylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone
CID 112852782
[6-[(5-methyl-1,2-oxazol-3-yl)amino]-2-phenylpyrimidin-4-yl]-piperidin-1-ylmethanone
CID 112852983
[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109372642
[6-(4-chloroanilino)-2-phenylpyrimidin-4-yl]-morpholin-4-ylmethanone
CID 112853517
3-[[2-phenyl-6-(piperidine-1-carbonyl)pyrimidin-4-yl]amino]benzonitrile
CID 112852979
[6-(cyclopropylamino)-2-phenylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone
CID 112851698
[6-(2-methylanilino)-2-phenylpyrimidin-4-yl]-morpholin-4-ylmethanone
CID 112853499
azepan-1-yl-[6-(3-methylbutylamino)-2-phenylpyrimidin-4-yl]methanone
CID 112854359
azepan-1-yl-[6-(3-methoxypropylamino)-2-phenylpyrimidin-4-yl]methanone
CID 112853312

Frequently Asked Questions

What is the IUPAC name of [6-(4-methylanilino)-2-phenylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [6-(4-methylanilino)-2-phenylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone (CID 112852761) is [6-(4-methylanilino)-2-phenylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [6-(4-methylanilino)-2-phenylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [6-(4-methylanilino)-2-phenylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone is Cc1ccc(Nc2cc(C(=O)N3CCCC3)nc(-c3ccccc3)n2)cc1.
What is the InChIKey of [6-(4-methylanilino)-2-phenylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is JFGSJNRUWDFGIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O/c1-16-9-11-18(12-10-16)23-20-15-19(22(27)26-13-5-6-14-26)24-21(25-20)17-7-3-2-4-8-17/h2-4,7-12,15H,5-6,13-14H2,1H3,(H,23,24,25).
What are the key properties of [6-(4-methylanilino)-2-phenylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone?
[6-(4-methylanilino)-2-phenylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 358.45 g/mol, XLogP of 4.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(4-methylanilino)-2-phenylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 112852761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).