2-[1-[(2-fluorophenyl)methyl]-5-(1,3-oxazol-2-yl)pyrazol-3-yl]pyrimidine-4,5-diamine

C17H14FN7O — CID 68642423

IUPAC2-[1-[(2-fluorophenyl)methyl]-5-(1,3-oxazol-2-yl)pyrazol-3-yl]pyrimidine-4,5-diamine
SMILESNc1cnc(-c2cc(-c3ncco3)n(Cc3ccccc3F)n2)nc1N
InChIInChI=1S/C17H14FN7O/c18-11-4-2-1-3-10(11)9-25-14(17-21-5-6-26-17)7-13(24-25)16-22-8-12(19)15(20)23-16/h1-8H,9,19H2,(H2,20,22,23)
InChIKeyYJCGVAJOBPITHS-UHFFFAOYSA-N
MW351.35 g/mol
LogP2.35
Rot. Bonds4

About 2-[1-[(2-fluorophenyl)methyl]-5-(1,3-oxazol-2-yl)pyrazol-3-yl]pyrimidine-4,5-diamine

2-[1-[(2-fluorophenyl)methyl]-5-(1,3-oxazol-2-yl)pyrazol-3-yl]pyrimidine-4,5-diamine (PubChem CID 68642423) has the molecular formula C17H14FN7O and a molecular weight of 351.35 g/mol. Its IUPAC name is 2-[1-[(2-fluorophenyl)methyl]-5-(1,3-oxazol-2-yl)pyrazol-3-yl]pyrimidine-4,5-diamine.

Molecular Properties

Compound Name2-[1-[(2-fluorophenyl)methyl]-5-(1,3-oxazol-2-yl)pyrazol-3-yl]pyrimidine-4,5-diamine
PubChem CID68642423
Molecular FormulaC17H14FN7O
Molecular Weight351.35 g/mol
Exact Mass351.12
IUPAC Name2-[1-[(2-fluorophenyl)methyl]-5-(1,3-oxazol-2-yl)pyrazol-3-yl]pyrimidine-4,5-diamine
SMILESNc1cnc(-c2cc(-c3ncco3)n(Cc3ccccc3F)n2)nc1N
InChIInChI=1S/C17H14FN7O/c18-11-4-2-1-3-10(11)9-25-14(17-21-5-6-26-17)7-13(24-25)16-22-8-12(19)15(20)23-16/h1-8H,9,19H2,(H2,20,22,23)
InChIKeyYJCGVAJOBPITHS-UHFFFAOYSA-N
XLogP2.35
TPSA121.67 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.35
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2,4-Difluoro-5-[5-isopropyl-6-(5-methyl-oxazol-2-yl)-pyrrolo[2,1-f][1,2,4]triazin-4-ylamino]-N-methoxy-benzamide
CID 10388612
4-[3-[4-[4-fluoro-2-(1,3-oxazol-2-yl)phenyl]piperazin-1-yl]propylamino]-N,N,1,3-tetramethylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 10506159
N-[3-(8-Amino-2-furan-2-yl-[1,2,4]triazolo[1,5-a]pyrazin-6-yl)-phenyl]-acetamide
CID 44216145
2-((3-Fluoropyridin-2-yl)methyl)-8-(3-methylimi dazo[l,2-a]pyridin-6-yl)-7-(oxazol-2-yl)-[l,2,4] triazolo[l,5-c]pyrimidin-5-amine
CID 146490628
5-(5-am i no-2-(2,6-difluorobenzy1)-7-(oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-8-yl)-l-isopropylpyrdin-2(1H)-one
CID 146490903
3-(methoxymethyl)-1-methyl-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide
CID 165415010
5-Furan-2-yl-7-trifluoromethyl-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid [1-(4-fluoro-benzyl)-1H-pyrazol-4-yl]-amide
CID 654644
3-(2-Fluorobenzyl)-7-(2-oxazolyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine-5-amine
CID 25188209
11-(Furan-2-yl)-3-(2-phenylethyl)-3,4,7,9,10,12-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2(6),4,7,10-pentaen-8-amine
CID 57391694
11-(Furan-2-yl)-4-(3-phenylpropyl)-3,4,7,9,10,12-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,5,7,10-pentaen-8-amine
CID 57398676
11-(Furan-2-yl)-4-(2-phenylethyl)-3,4,7,9,10,12-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,5,7,10-pentaen-8-amine
CID 57403905
2-[(2-Fluorophenyl)methyl]-5-(5-methylfuran-2-yl)pyrazolo[4,3-d]pyrimidin-7-amine
CID 127045699

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-fluorophenyl)methyl]-5-(1,3-oxazol-2-yl)pyrazol-3-yl]pyrimidine-4,5-diamine?
The IUPAC name of 2-[1-[(2-fluorophenyl)methyl]-5-(1,3-oxazol-2-yl)pyrazol-3-yl]pyrimidine-4,5-diamine (CID 68642423) is 2-[1-[(2-fluorophenyl)methyl]-5-(1,3-oxazol-2-yl)pyrazol-3-yl]pyrimidine-4,5-diamine.
What is the SMILES notation for 2-[1-[(2-fluorophenyl)methyl]-5-(1,3-oxazol-2-yl)pyrazol-3-yl]pyrimidine-4,5-diamine?
The canonical SMILES for 2-[1-[(2-fluorophenyl)methyl]-5-(1,3-oxazol-2-yl)pyrazol-3-yl]pyrimidine-4,5-diamine is Nc1cnc(-c2cc(-c3ncco3)n(Cc3ccccc3F)n2)nc1N.
What is the InChIKey of 2-[1-[(2-fluorophenyl)methyl]-5-(1,3-oxazol-2-yl)pyrazol-3-yl]pyrimidine-4,5-diamine?
The InChIKey is YJCGVAJOBPITHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN7O/c18-11-4-2-1-3-10(11)9-25-14(17-21-5-6-26-17)7-13(24-25)16-22-8-12(19)15(20)23-16/h1-8H,9,19H2,(H2,20,22,23).
What are the key properties of 2-[1-[(2-fluorophenyl)methyl]-5-(1,3-oxazol-2-yl)pyrazol-3-yl]pyrimidine-4,5-diamine?
2-[1-[(2-fluorophenyl)methyl]-5-(1,3-oxazol-2-yl)pyrazol-3-yl]pyrimidine-4,5-diamine has a molecular weight of 351.35 g/mol, XLogP of 2.35, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-fluorophenyl)methyl]-5-(1,3-oxazol-2-yl)pyrazol-3-yl]pyrimidine-4,5-diamine is sourced from PubChem (CID 68642423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).