6-(1H-benzimidazol-4-ylmethyl)-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-fluoropyrimidine-2,4-diamine

C18H17FN8 — CID 71272487

IUPAC6-(1H-benzimidazol-4-ylmethyl)-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-fluoropyrimidine-2,4-diamine
SMILESNc1nc(Cc2cccc3[nH]cnc23)c(F)c(Nc2cc(C3CC3)[nH]n2)n1
InChIInChI=1S/C18H17FN8/c19-15-13(6-10-2-1-3-11-16(10)22-8-21-11)23-18(20)25-17(15)24-14-7-12(26-27-14)9-4-5-9/h1-3,7-9H,4-6H2,(H,21,22)(H4,20,23,24,25,26,27)
InChIKeyFSZROZLKQXZNDP-UHFFFAOYSA-N
MW364.39 g/mol
LogP3.01
Rot. Bonds5

About 6-(1H-benzimidazol-4-ylmethyl)-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-fluoropyrimidine-2,4-diamine

6-(1H-benzimidazol-4-ylmethyl)-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-fluoropyrimidine-2,4-diamine (PubChem CID 71272487) has the molecular formula C18H17FN8 and a molecular weight of 364.39 g/mol. Its IUPAC name is 6-(1H-benzimidazol-4-ylmethyl)-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-fluoropyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-(1H-benzimidazol-4-ylmethyl)-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-fluoropyrimidine-2,4-diamine
PubChem CID71272487
Molecular FormulaC18H17FN8
Molecular Weight364.39 g/mol
Exact Mass364.16
IUPAC Name6-(1H-benzimidazol-4-ylmethyl)-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-fluoropyrimidine-2,4-diamine
SMILESNc1nc(Cc2cccc3[nH]cnc23)c(F)c(Nc2cc(C3CC3)[nH]n2)n1
InChIInChI=1S/C18H17FN8/c19-15-13(6-10-2-1-3-11-16(10)22-8-21-11)23-18(20)25-17(15)24-14-7-12(26-27-14)9-4-5-9/h1-3,7-9H,4-6H2,(H,21,22)(H4,20,23,24,25,26,27)
InChIKeyFSZROZLKQXZNDP-UHFFFAOYSA-N
XLogP3.01
TPSA121.19 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.39
LogP ≤ 53.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 6-(1H-benzimidazol-4-ylmethyl)-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-fluoropyrimidine-2,4-diamine with MolForge

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Related Compounds

Vactosertib
CID 54766013
Ag-24322
CID 135413565
N~2~-1H-benzimidazol-5-yl-N~4~-(3-cyclopropyl-1H-pyrazol-5-yl)pyrimidine-2,4-diamine
CID 42627755
2-(2H-indazol-3-yl)-1H-1,3-benzodiazole
CID 135464491
5-Butyl-8-phenyl-3H-[1,2,4]triazolo[5,1-i]purine
CID 135457998
N-[(1-ethylpyrrolidin-2-yl)methyl]-8-fluoro-5H-pyrimido[5,4-b]indol-4-amine
CID 664284
CID 138105936
CID 138105936
3-(1H-Indazol-5-yl)-N-propylimidazo(1,2-b)pyridazin-6-amine
CID 70679308
N~4~-(5-Cyclopropyl-1h-Pyrazol-3-Yl)-N~2~-[(1s)-1-(1h-Pyrrolo[3,2-B]pyridin-5-Yl)ethyl]pyrimidine-2,4-Diamine
CID 71611421
Il-94
CID 73348907
7-Fluoro-4-(5-Methyl-3h-Imidazo[4,5-B]pyridin-6-Yl)-2,4-Dihydropyrazolo[4,3-B]indole
CID 73426341
N~2~-(1h-Benzimidazol-6-Yl)-N~4~-(5-Cyclobutyl-1h-Pyrazol-3-Yl)quinazoline-2,4-Diamine
CID 86346643

Frequently Asked Questions

What is the IUPAC name of 6-(1H-benzimidazol-4-ylmethyl)-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-fluoropyrimidine-2,4-diamine?
The IUPAC name of 6-(1H-benzimidazol-4-ylmethyl)-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-fluoropyrimidine-2,4-diamine (CID 71272487) is 6-(1H-benzimidazol-4-ylmethyl)-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-fluoropyrimidine-2,4-diamine.
What is the SMILES notation for 6-(1H-benzimidazol-4-ylmethyl)-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-fluoropyrimidine-2,4-diamine?
The canonical SMILES for 6-(1H-benzimidazol-4-ylmethyl)-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-fluoropyrimidine-2,4-diamine is Nc1nc(Cc2cccc3[nH]cnc23)c(F)c(Nc2cc(C3CC3)[nH]n2)n1.
What is the InChIKey of 6-(1H-benzimidazol-4-ylmethyl)-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-fluoropyrimidine-2,4-diamine?
The InChIKey is FSZROZLKQXZNDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN8/c19-15-13(6-10-2-1-3-11-16(10)22-8-21-11)23-18(20)25-17(15)24-14-7-12(26-27-14)9-4-5-9/h1-3,7-9H,4-6H2,(H,21,22)(H4,20,23,24,25,26,27).
What are the key properties of 6-(1H-benzimidazol-4-ylmethyl)-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-fluoropyrimidine-2,4-diamine?
6-(1H-benzimidazol-4-ylmethyl)-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-fluoropyrimidine-2,4-diamine has a molecular weight of 364.39 g/mol, XLogP of 3.01, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1H-benzimidazol-4-ylmethyl)-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-fluoropyrimidine-2,4-diamine is sourced from PubChem (CID 71272487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).