[4-[[4-(2-methyl-3-propan-2-ylimidazol-4-yl)-5-phosphanylpyrimidin-2-yl]amino]phenyl]-phenylmethanone

C24H24N5OP — CID 143435129

IUPAC[4-[[4-(2-methyl-3-propan-2-ylimidazol-4-yl)-5-phosphanylpyrimidin-2-yl]amino]phenyl]-phenylmethanone
SMILESCc1ncc(-c2nc(Nc3ccc(C(=O)c4ccccc4)cc3)ncc2P)n1C(C)C
InChIInChI=1S/C24H24N5OP/c1-15(2)29-16(3)25-13-20(29)22-21(31)14-26-24(28-22)27-19-11-9-18(10-12-19)23(30)17-7-5-4-6-8-17/h4-15H,31H2,1-3H3,(H,26,27,28)
InChIKeyHSDQYFMPIJNRTR-UHFFFAOYSA-N
MW429.46 g/mol
LogP4.70
Rot. Bonds6

About [4-[[4-(2-methyl-3-propan-2-ylimidazol-4-yl)-5-phosphanylpyrimidin-2-yl]amino]phenyl]-phenylmethanone

[4-[[4-(2-methyl-3-propan-2-ylimidazol-4-yl)-5-phosphanylpyrimidin-2-yl]amino]phenyl]-phenylmethanone (PubChem CID 143435129) has the molecular formula C24H24N5OP and a molecular weight of 429.46 g/mol. Its IUPAC name is [4-[[4-(2-methyl-3-propan-2-ylimidazol-4-yl)-5-phosphanylpyrimidin-2-yl]amino]phenyl]-phenylmethanone.

Molecular Properties

Compound Name[4-[[4-(2-methyl-3-propan-2-ylimidazol-4-yl)-5-phosphanylpyrimidin-2-yl]amino]phenyl]-phenylmethanone
PubChem CID143435129
Molecular FormulaC24H24N5OP
Molecular Weight429.46 g/mol
Exact Mass429.17
IUPAC Name[4-[[4-(2-methyl-3-propan-2-ylimidazol-4-yl)-5-phosphanylpyrimidin-2-yl]amino]phenyl]-phenylmethanone
SMILESCc1ncc(-c2nc(Nc3ccc(C(=O)c4ccccc4)cc3)ncc2P)n1C(C)C
InChIInChI=1S/C24H24N5OP/c1-15(2)29-16(3)25-13-20(29)22-21(31)14-26-24(28-22)27-19-11-9-18(10-12-19)23(30)17-7-5-4-6-8-17/h4-15H,31H2,1-3H3,(H,26,27,28)
InChIKeyHSDQYFMPIJNRTR-UHFFFAOYSA-N
XLogP4.70
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.46
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

6-[[5-fluoro-4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]pyridine-3-carboxylic acid
CID 68974270
4-[[5-fluoro-4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide
CID 11518075
lithium;2-fluoro-4-[[5-fluoro-4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]benzoic acid;hydride
CID 173083328
N-cyclopropyl-4-[[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]benzamide
CID 44563066
5-fluoro-4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-amine;[4-[[5-fluoro-4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]phenyl]-morpholin-4-ylmethanone
CID 159560710
[4-[[5-fluoro-4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]phenyl]-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]methanone
CID 67037200
[4-[[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]phenyl]-(4-phenylpiperazin-1-yl)methanone
CID 67037243
1-[4-[2-fluoro-4-[[5-fluoro-4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]phenyl]piperazin-1-yl]ethanone
CID 11396903
1-[4-[4-[[5-fluoro-4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]-2-methylphenyl]piperazin-1-yl]ethanone
CID 68686334
N-(1-methylpiperidin-4-yl)-4-[[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]benzamide
CID 44563117
lithium 5-[[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]pyridine-2-carboxylate
CID 68974264
N-(1,1-dioxothiolan-3-yl)-4-[[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]benzamide
CID 69078926

Frequently Asked Questions

What is the IUPAC name of [4-[[4-(2-methyl-3-propan-2-ylimidazol-4-yl)-5-phosphanylpyrimidin-2-yl]amino]phenyl]-phenylmethanone?
The IUPAC name of [4-[[4-(2-methyl-3-propan-2-ylimidazol-4-yl)-5-phosphanylpyrimidin-2-yl]amino]phenyl]-phenylmethanone (CID 143435129) is [4-[[4-(2-methyl-3-propan-2-ylimidazol-4-yl)-5-phosphanylpyrimidin-2-yl]amino]phenyl]-phenylmethanone.
What is the SMILES notation for [4-[[4-(2-methyl-3-propan-2-ylimidazol-4-yl)-5-phosphanylpyrimidin-2-yl]amino]phenyl]-phenylmethanone?
The canonical SMILES for [4-[[4-(2-methyl-3-propan-2-ylimidazol-4-yl)-5-phosphanylpyrimidin-2-yl]amino]phenyl]-phenylmethanone is Cc1ncc(-c2nc(Nc3ccc(C(=O)c4ccccc4)cc3)ncc2P)n1C(C)C.
What is the InChIKey of [4-[[4-(2-methyl-3-propan-2-ylimidazol-4-yl)-5-phosphanylpyrimidin-2-yl]amino]phenyl]-phenylmethanone?
The InChIKey is HSDQYFMPIJNRTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N5OP/c1-15(2)29-16(3)25-13-20(29)22-21(31)14-26-24(28-22)27-19-11-9-18(10-12-19)23(30)17-7-5-4-6-8-17/h4-15H,31H2,1-3H3,(H,26,27,28).
What are the key properties of [4-[[4-(2-methyl-3-propan-2-ylimidazol-4-yl)-5-phosphanylpyrimidin-2-yl]amino]phenyl]-phenylmethanone?
[4-[[4-(2-methyl-3-propan-2-ylimidazol-4-yl)-5-phosphanylpyrimidin-2-yl]amino]phenyl]-phenylmethanone has a molecular weight of 429.46 g/mol, XLogP of 4.70, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[4-(2-methyl-3-propan-2-ylimidazol-4-yl)-5-phosphanylpyrimidin-2-yl]amino]phenyl]-phenylmethanone is sourced from PubChem (CID 143435129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).