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

C23H25N5O — CID 112852780

IUPAC[6-[4-(dimethylamino)anilino]-2-phenylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone
SMILESCN(C)c1ccc(Nc2cc(C(=O)N3CCCC3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C23H25N5O/c1-27(2)19-12-10-18(11-13-19)24-21-16-20(23(29)28-14-6-7-15-28)25-22(26-21)17-8-4-3-5-9-17/h3-5,8-13,16H,6-7,14-15H2,1-2H3,(H,24,25,26)
InChIKeyHMWXMVVXTXDQJV-UHFFFAOYSA-N
MW387.49 g/mol
LogP4.19
Rot. Bonds5

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

[6-[4-(dimethylamino)anilino]-2-phenylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone (PubChem CID 112852780) has the molecular formula C23H25N5O and a molecular weight of 387.49 g/mol. Its IUPAC name is [6-[4-(dimethylamino)anilino]-2-phenylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[6-[4-(dimethylamino)anilino]-2-phenylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone
PubChem CID112852780
Molecular FormulaC23H25N5O
Molecular Weight387.49 g/mol
Exact Mass387.21
IUPAC Name[6-[4-(dimethylamino)anilino]-2-phenylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone
SMILESCN(C)c1ccc(Nc2cc(C(=O)N3CCCC3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C23H25N5O/c1-27(2)19-12-10-18(11-13-19)24-21-16-20(23(29)28-14-6-7-15-28)25-22(26-21)17-8-4-3-5-9-17/h3-5,8-13,16H,6-7,14-15H2,1-2H3,(H,24,25,26)
InChIKeyHMWXMVVXTXDQJV-UHFFFAOYSA-N
XLogP4.19
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.49
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

[6-(4-methylanilino)-2-phenylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone
CID 112852761
[6-(4-chloroanilino)-2-phenylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone
CID 112852770
[6-(1,3-benzodioxol-5-ylamino)-2-phenylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone
CID 112852782
(6-anilino-2-phenylpyrimidin-4-yl)-(4-methylpiperidin-1-yl)methanone
CID 112853073
[6-(4-chloroanilino)-2-phenylpyrimidin-4-yl]-morpholin-4-ylmethanone
CID 112853517
[6-[(5-methyl-1,2-oxazol-3-yl)amino]-2-phenylpyrimidin-4-yl]-piperidin-1-ylmethanone
CID 112852983
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
[2-[4-(dimethylamino)anilino]-6-methylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone
CID 109321866
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
[6-(3-methoxyanilino)-2-phenylpyrimidin-4-yl]-morpholin-4-ylmethanone
CID 112853519

Frequently Asked Questions

What is the IUPAC name of [6-[4-(dimethylamino)anilino]-2-phenylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [6-[4-(dimethylamino)anilino]-2-phenylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone (CID 112852780) is [6-[4-(dimethylamino)anilino]-2-phenylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [6-[4-(dimethylamino)anilino]-2-phenylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [6-[4-(dimethylamino)anilino]-2-phenylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone is CN(C)c1ccc(Nc2cc(C(=O)N3CCCC3)nc(-c3ccccc3)n2)cc1.
What is the InChIKey of [6-[4-(dimethylamino)anilino]-2-phenylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is HMWXMVVXTXDQJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O/c1-27(2)19-12-10-18(11-13-19)24-21-16-20(23(29)28-14-6-7-15-28)25-22(26-21)17-8-4-3-5-9-17/h3-5,8-13,16H,6-7,14-15H2,1-2H3,(H,24,25,26).
What are the key properties of [6-[4-(dimethylamino)anilino]-2-phenylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone?
[6-[4-(dimethylamino)anilino]-2-phenylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 387.49 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 [6-[4-(dimethylamino)anilino]-2-phenylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 112852780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).