2-fluoro-4-[5-methyl-2-(1H-pyrazol-4-ylamino)pyrimidin-4-yl]phenol

C14H12FN5O — CID 141335854

IUPAC2-fluoro-4-[5-methyl-2-(1H-pyrazol-4-ylamino)pyrimidin-4-yl]phenol
SMILESCc1cnc(Nc2cn[nH]c2)nc1-c1ccc(O)c(F)c1
InChIInChI=1S/C14H12FN5O/c1-8-5-16-14(19-10-6-17-18-7-10)20-13(8)9-2-3-12(21)11(15)4-9/h2-7,21H,1H3,(H,17,18)(H,16,19,20)
InChIKeyHDNNUZCENSFJRL-UHFFFAOYSA-N
MW285.28 g/mol
LogP2.76
Rot. Bonds3

About 2-fluoro-4-[5-methyl-2-(1H-pyrazol-4-ylamino)pyrimidin-4-yl]phenol

2-fluoro-4-[5-methyl-2-(1H-pyrazol-4-ylamino)pyrimidin-4-yl]phenol (PubChem CID 141335854) has the molecular formula C14H12FN5O and a molecular weight of 285.28 g/mol. Its IUPAC name is 2-fluoro-4-[5-methyl-2-(1H-pyrazol-4-ylamino)pyrimidin-4-yl]phenol.

Molecular Properties

Compound Name2-fluoro-4-[5-methyl-2-(1H-pyrazol-4-ylamino)pyrimidin-4-yl]phenol
PubChem CID141335854
Molecular FormulaC14H12FN5O
Molecular Weight285.28 g/mol
Exact Mass285.10
IUPAC Name2-fluoro-4-[5-methyl-2-(1H-pyrazol-4-ylamino)pyrimidin-4-yl]phenol
SMILESCc1cnc(Nc2cn[nH]c2)nc1-c1ccc(O)c(F)c1
InChIInChI=1S/C14H12FN5O/c1-8-5-16-14(19-10-6-17-18-7-10)20-13(8)9-2-3-12(21)11(15)4-9/h2-7,21H,1H3,(H,17,18)(H,16,19,20)
InChIKeyHDNNUZCENSFJRL-UHFFFAOYSA-N
XLogP2.76
TPSA86.72 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.28
LogP ≤ 52.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3-fluoro-4-propan-2-yloxyphenyl)-5-methyl-N-(1H-pyrazol-4-yl)pyrimidin-2-amine
CID 141335906
5-methyl-4-(3-methylsulfonylphenyl)-N-(1H-pyrazol-4-yl)pyrimidin-2-amine
CID 141335863
2-[4-[[4-(3-fluoro-4-hydroxyphenyl)-5-methylpyrimidin-2-yl]amino]pyrazol-1-yl]acetonitrile
CID 155203571
1-[4-[4-[[4-(3-fluoro-4-hydroxyphenyl)-5-methylpyrimidin-2-yl]amino]pyrazol-1-yl]piperidin-1-yl]ethanone
CID 155203801
4-(4-chloro-3-fluorophenyl)-5-methyl-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine
CID 69093900
5-methyl-2-N-(1H-pyrazol-4-yl)-4-N-[(2,3,6-trifluorophenyl)methyl]pyrimidine-2,4-diamine
CID 141388759
2-fluoro-4-[5-methyl-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]benzoic acid
CID 154930800
4-(4-fluorophenyl)-N,5-dimethylpyrimidin-2-amine
CID 63548241
(2S)-1-[2-fluoro-4-[5-methyl-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenoxy]propan-2-ol
CID 69092707
4-(4-cyclobutyloxy-3-fluorophenyl)-5-methyl-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine
CID 69082679
4-[5-chloro-2-(1H-pyrazol-4-ylamino)pyrimidin-4-yl]benzoic acid
CID 151311084
4-[3-fluoro-4-(2-methylpropoxy)phenyl]-5-methyl-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine
CID 69092156

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[5-methyl-2-(1H-pyrazol-4-ylamino)pyrimidin-4-yl]phenol?
The IUPAC name of 2-fluoro-4-[5-methyl-2-(1H-pyrazol-4-ylamino)pyrimidin-4-yl]phenol (CID 141335854) is 2-fluoro-4-[5-methyl-2-(1H-pyrazol-4-ylamino)pyrimidin-4-yl]phenol.
What is the SMILES notation for 2-fluoro-4-[5-methyl-2-(1H-pyrazol-4-ylamino)pyrimidin-4-yl]phenol?
The canonical SMILES for 2-fluoro-4-[5-methyl-2-(1H-pyrazol-4-ylamino)pyrimidin-4-yl]phenol is Cc1cnc(Nc2cn[nH]c2)nc1-c1ccc(O)c(F)c1.
What is the InChIKey of 2-fluoro-4-[5-methyl-2-(1H-pyrazol-4-ylamino)pyrimidin-4-yl]phenol?
The InChIKey is HDNNUZCENSFJRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN5O/c1-8-5-16-14(19-10-6-17-18-7-10)20-13(8)9-2-3-12(21)11(15)4-9/h2-7,21H,1H3,(H,17,18)(H,16,19,20).
What are the key properties of 2-fluoro-4-[5-methyl-2-(1H-pyrazol-4-ylamino)pyrimidin-4-yl]phenol?
2-fluoro-4-[5-methyl-2-(1H-pyrazol-4-ylamino)pyrimidin-4-yl]phenol has a molecular weight of 285.28 g/mol, XLogP of 2.76, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[5-methyl-2-(1H-pyrazol-4-ylamino)pyrimidin-4-yl]phenol is sourced from PubChem (CID 141335854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).