4-(3-cyclopropyl-7-fluoro-2-methylbenzimidazol-5-yl)-N-(5-ethyl-6-propyl-2-pyridinyl)-5-fluoropyrimidin-2-amine

C25H26F2N6 — CID 130197124

IUPAC4-(3-cyclopropyl-7-fluoro-2-methylbenzimidazol-5-yl)-N-(5-ethyl-6-propyl-2-pyridinyl)-5-fluoropyrimidin-2-amine
SMILESCCCc1nc(Nc2ncc(F)c(-c3cc(F)c4nc(C)n(C5CC5)c4c3)n2)ccc1CC
InChIInChI=1S/C25H26F2N6/c1-4-6-20-15(5-2)7-10-22(30-20)31-25-28-13-19(27)23(32-25)16-11-18(26)24-21(12-16)33(14(3)29-24)17-8-9-17/h7,10-13,17H,4-6,8-9H2,1-3H3,(H,28,30,31,32)
InChIKeyRBMAIPNPPHWLIG-UHFFFAOYSA-N
MW448.52 g/mol
LogP6.07
Rot. Bonds7

About 4-(3-cyclopropyl-7-fluoro-2-methylbenzimidazol-5-yl)-N-(5-ethyl-6-propyl-2-pyridinyl)-5-fluoropyrimidin-2-amine

4-(3-cyclopropyl-7-fluoro-2-methylbenzimidazol-5-yl)-N-(5-ethyl-6-propyl-2-pyridinyl)-5-fluoropyrimidin-2-amine (PubChem CID 130197124) has the molecular formula C25H26F2N6 and a molecular weight of 448.52 g/mol. Its IUPAC name is 4-(3-cyclopropyl-7-fluoro-2-methylbenzimidazol-5-yl)-N-(5-ethyl-6-propyl-2-pyridinyl)-5-fluoropyrimidin-2-amine.

Molecular Properties

Compound Name4-(3-cyclopropyl-7-fluoro-2-methylbenzimidazol-5-yl)-N-(5-ethyl-6-propyl-2-pyridinyl)-5-fluoropyrimidin-2-amine
PubChem CID130197124
Molecular FormulaC25H26F2N6
Molecular Weight448.52 g/mol
Exact Mass448.22
IUPAC Name4-(3-cyclopropyl-7-fluoro-2-methylbenzimidazol-5-yl)-N-(5-ethyl-6-propyl-2-pyridinyl)-5-fluoropyrimidin-2-amine
SMILESCCCc1nc(Nc2ncc(F)c(-c3cc(F)c4nc(C)n(C5CC5)c4c3)n2)ccc1CC
InChIInChI=1S/C25H26F2N6/c1-4-6-20-15(5-2)7-10-22(30-20)31-25-28-13-19(27)23(32-25)16-11-18(26)24-21(12-16)33(14(3)29-24)17-8-9-17/h7,10-13,17H,4-6,8-9H2,1-3H3,(H,28,30,31,32)
InChIKeyRBMAIPNPPHWLIG-UHFFFAOYSA-N
XLogP6.07
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.52
LogP ≤ 56.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(3-cyclopropyl-2,7-dimethylbenzimidazol-5-yl)-N-[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]-5-fluoropyrimidin-2-amine
CID 130310821
N-[4-(3-cyclopropyl-7-fluoro-2-methylbenzimidazol-5-yl)-5-fluoropyrimidin-2-yl]-6-[4-(dimethylamino)but-1-en-2-yl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine
CID 154612565
1-[2-[[4-(3-cyclobutyl-7-fluoro-2-methylbenzimidazol-5-yl)-5-fluoropyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-(dimethylamino)ethanone
CID 130196800
1-[2-[[4-(3-cyclopentyl-7-fluoro-2-methylbenzimidazol-5-yl)-5-fluoropyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-(dimethylamino)ethanone
CID 130196666
3-[6-[2-[[6-[2-(dimethylamino)ethyl]-7,8-dihydro-5H-1,6-naphthyridin-2-yl]amino]-5-fluoropyrimidin-4-yl]-4-fluoro-2-methylbenzimidazol-1-yl]cyclobutan-1-one
CID 130196947
4-[[6-[[5-fluoro-4-(5-fluoro-1-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-7-yl)pyrimidin-2-yl]amino]-2-methyl-3-pyridinyl]methyl]piperidine-1-carboxylic acid
CID 135314533
4-(3-ethyl-7-fluoro-2-methylbenzimidazol-5-yl)-5-fluoro-N-[5-[1-(1-methylpiperidin-4-yl)ethenyl]-2-pyridinyl]pyrimidin-2-amine
CID 146603868
N-[4-[3-(3,3-difluorocyclobutyl)-7-fluoro-2-methylbenzimidazol-5-yl]-5-fluoropyrimidin-2-yl]-6-[2-(dimethylamino)ethyl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine
CID 130196863
(R)-(1-cyclopropylpiperidin-4-yl)-[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]methanol
CID 146603900
5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[(1-propan-2-ylpiperidin-4-yl)methyl]-2-pyridinyl]pyrimidin-2-amine
CID 166840951
(2S)-1-[2-[[4-(3-cyclopropyl-7-fluoro-2-methylbenzimidazol-5-yl)-5-fluoropyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-3-(dimethylamino)propan-2-ol;N-[4-(3-cyclopropyl-7-fluoro-2-methylbenzimidazol-5-yl)-5-fluoropyrimidin-2-yl]-6-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine
CID 157436972
N-[4-(3-cyclopropyl-7-fluoro-2-iodobenzimidazol-5-yl)-5-fluoropyrimidin-2-yl]-6-[3-(dimethylamino)propyl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine
CID 163499196

Frequently Asked Questions

What is the IUPAC name of 4-(3-cyclopropyl-7-fluoro-2-methylbenzimidazol-5-yl)-N-(5-ethyl-6-propyl-2-pyridinyl)-5-fluoropyrimidin-2-amine?
The IUPAC name of 4-(3-cyclopropyl-7-fluoro-2-methylbenzimidazol-5-yl)-N-(5-ethyl-6-propyl-2-pyridinyl)-5-fluoropyrimidin-2-amine (CID 130197124) is 4-(3-cyclopropyl-7-fluoro-2-methylbenzimidazol-5-yl)-N-(5-ethyl-6-propyl-2-pyridinyl)-5-fluoropyrimidin-2-amine.
What is the SMILES notation for 4-(3-cyclopropyl-7-fluoro-2-methylbenzimidazol-5-yl)-N-(5-ethyl-6-propyl-2-pyridinyl)-5-fluoropyrimidin-2-amine?
The canonical SMILES for 4-(3-cyclopropyl-7-fluoro-2-methylbenzimidazol-5-yl)-N-(5-ethyl-6-propyl-2-pyridinyl)-5-fluoropyrimidin-2-amine is CCCc1nc(Nc2ncc(F)c(-c3cc(F)c4nc(C)n(C5CC5)c4c3)n2)ccc1CC.
What is the InChIKey of 4-(3-cyclopropyl-7-fluoro-2-methylbenzimidazol-5-yl)-N-(5-ethyl-6-propyl-2-pyridinyl)-5-fluoropyrimidin-2-amine?
The InChIKey is RBMAIPNPPHWLIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F2N6/c1-4-6-20-15(5-2)7-10-22(30-20)31-25-28-13-19(27)23(32-25)16-11-18(26)24-21(12-16)33(14(3)29-24)17-8-9-17/h7,10-13,17H,4-6,8-9H2,1-3H3,(H,28,30,31,32).
What are the key properties of 4-(3-cyclopropyl-7-fluoro-2-methylbenzimidazol-5-yl)-N-(5-ethyl-6-propyl-2-pyridinyl)-5-fluoropyrimidin-2-amine?
4-(3-cyclopropyl-7-fluoro-2-methylbenzimidazol-5-yl)-N-(5-ethyl-6-propyl-2-pyridinyl)-5-fluoropyrimidin-2-amine has a molecular weight of 448.52 g/mol, XLogP of 6.07, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyclopropyl-7-fluoro-2-methylbenzimidazol-5-yl)-N-(5-ethyl-6-propyl-2-pyridinyl)-5-fluoropyrimidin-2-amine is sourced from PubChem (CID 130197124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).