N-(3-fluorophenyl)-2-methyl-6-pyrazol-1-ylpyrimidin-4-amine

C14H12FN5 — CID 796103

IUPACN-(3-fluorophenyl)-2-methyl-6-pyrazol-1-ylpyrimidin-4-amine
SMILESCc1nc(Nc2cccc(F)c2)cc(-n2cccn2)n1
InChIInChI=1S/C14H12FN5/c1-10-17-13(19-12-5-2-4-11(15)8-12)9-14(18-10)20-7-3-6-16-20/h2-9H,1H3,(H,17,18,19)
InChIKeyZVVKHCAZXWEZGM-UHFFFAOYSA-N
MW269.28 g/mol
LogP2.85
Rot. Bonds3

About N-(3-fluorophenyl)-2-methyl-6-pyrazol-1-ylpyrimidin-4-amine

N-(3-fluorophenyl)-2-methyl-6-pyrazol-1-ylpyrimidin-4-amine (PubChem CID 796103) has the molecular formula C14H12FN5 and a molecular weight of 269.28 g/mol. Its IUPAC name is N-(3-fluorophenyl)-2-methyl-6-pyrazol-1-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(3-fluorophenyl)-2-methyl-6-pyrazol-1-ylpyrimidin-4-amine
PubChem CID796103
Molecular FormulaC14H12FN5
Molecular Weight269.28 g/mol
Exact Mass269.11
IUPAC NameN-(3-fluorophenyl)-2-methyl-6-pyrazol-1-ylpyrimidin-4-amine
SMILESCc1nc(Nc2cccc(F)c2)cc(-n2cccn2)n1
InChIInChI=1S/C14H12FN5/c1-10-17-13(19-12-5-2-4-11(15)8-12)9-14(18-10)20-7-3-6-16-20/h2-9H,1H3,(H,17,18,19)
InChIKeyZVVKHCAZXWEZGM-UHFFFAOYSA-N
XLogP2.85
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.28
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)benzene-1,4-diamine
CID 99980122
2,4-difluoro-N-[4-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]benzamide
CID 121072795
1-[4-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]-3-phenylurea
CID 121072953
6-N-(3-fluorophenyl)-2-methyl-4-N-(2-methylphenyl)pyrimidine-4,6-diamine
CID 112877001
4-N-(3-fluorophenyl)-6-N-(3-methoxyphenyl)-2-methylpyrimidine-4,6-diamine
CID 112878355
4-N-(3-fluorophenyl)-2-methyl-6-N-(4-propan-2-ylphenyl)pyrimidine-4,6-diamine
CID 112877722
N-[4-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]propanamide
CID 121072741
2,2-dimethyl-N-[4-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]propanamide
CID 121072744
N-[4-[[6-(3-fluoroanilino)-2-methylpyrimidin-4-yl]amino]phenyl]acetamide
CID 112878807
4-N-cyclopentyl-6-N-(3-fluorophenyl)-2-methylpyrimidine-4,6-diamine
CID 112868750
4-N-(3-chloro-4-methoxyphenyl)-6-N-(3-fluorophenyl)-2-methylpyrimidine-4,6-diamine
CID 112878205
4-[[6-(3-fluoroanilino)-2-methylpyrimidin-4-yl]amino]benzoic acid
CID 113193335

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-2-methyl-6-pyrazol-1-ylpyrimidin-4-amine?
The IUPAC name of N-(3-fluorophenyl)-2-methyl-6-pyrazol-1-ylpyrimidin-4-amine (CID 796103) is N-(3-fluorophenyl)-2-methyl-6-pyrazol-1-ylpyrimidin-4-amine.
What is the SMILES notation for N-(3-fluorophenyl)-2-methyl-6-pyrazol-1-ylpyrimidin-4-amine?
The canonical SMILES for N-(3-fluorophenyl)-2-methyl-6-pyrazol-1-ylpyrimidin-4-amine is Cc1nc(Nc2cccc(F)c2)cc(-n2cccn2)n1.
What is the InChIKey of N-(3-fluorophenyl)-2-methyl-6-pyrazol-1-ylpyrimidin-4-amine?
The InChIKey is ZVVKHCAZXWEZGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN5/c1-10-17-13(19-12-5-2-4-11(15)8-12)9-14(18-10)20-7-3-6-16-20/h2-9H,1H3,(H,17,18,19).
What are the key properties of N-(3-fluorophenyl)-2-methyl-6-pyrazol-1-ylpyrimidin-4-amine?
N-(3-fluorophenyl)-2-methyl-6-pyrazol-1-ylpyrimidin-4-amine has a molecular weight of 269.28 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-2-methyl-6-pyrazol-1-ylpyrimidin-4-amine is sourced from PubChem (CID 796103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).