4-(3-fluoro-4-propan-2-yloxyphenyl)-5-methyl-N-(1H-pyrazol-4-yl)pyrimidin-2-amine

C17H18FN5O — CID 141335906

IUPAC4-(3-fluoro-4-propan-2-yloxyphenyl)-5-methyl-N-(1H-pyrazol-4-yl)pyrimidin-2-amine
SMILESCc1cnc(Nc2cn[nH]c2)nc1-c1ccc(OC(C)C)c(F)c1
InChIInChI=1S/C17H18FN5O/c1-10(2)24-15-5-4-12(6-14(15)18)16-11(3)7-19-17(23-16)22-13-8-20-21-9-13/h4-10H,1-3H3,(H,20,21)(H,19,22,23)
InChIKeyQBSBAMGATULJBT-UHFFFAOYSA-N
MW327.36 g/mol
LogP3.85
Rot. Bonds5

About 4-(3-fluoro-4-propan-2-yloxyphenyl)-5-methyl-N-(1H-pyrazol-4-yl)pyrimidin-2-amine

4-(3-fluoro-4-propan-2-yloxyphenyl)-5-methyl-N-(1H-pyrazol-4-yl)pyrimidin-2-amine (PubChem CID 141335906) has the molecular formula C17H18FN5O and a molecular weight of 327.36 g/mol. Its IUPAC name is 4-(3-fluoro-4-propan-2-yloxyphenyl)-5-methyl-N-(1H-pyrazol-4-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(3-fluoro-4-propan-2-yloxyphenyl)-5-methyl-N-(1H-pyrazol-4-yl)pyrimidin-2-amine
PubChem CID141335906
Molecular FormulaC17H18FN5O
Molecular Weight327.36 g/mol
Exact Mass327.15
IUPAC Name4-(3-fluoro-4-propan-2-yloxyphenyl)-5-methyl-N-(1H-pyrazol-4-yl)pyrimidin-2-amine
SMILESCc1cnc(Nc2cn[nH]c2)nc1-c1ccc(OC(C)C)c(F)c1
InChIInChI=1S/C17H18FN5O/c1-10(2)24-15-5-4-12(6-14(15)18)16-11(3)7-19-17(23-16)22-13-8-20-21-9-13/h4-10H,1-3H3,(H,20,21)(H,19,22,23)
InChIKeyQBSBAMGATULJBT-UHFFFAOYSA-N
XLogP3.85
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-fluoro-4-[5-methyl-2-(1H-pyrazol-4-ylamino)pyrimidin-4-yl]phenol
CID 141335854
5-methyl-4-(3-methylsulfonylphenyl)-N-(1H-pyrazol-4-yl)pyrimidin-2-amine
CID 141335863
4-[3-fluoro-4-(2-methylpropoxy)phenyl]-5-methyl-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine
CID 69092156
(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
1-[2-fluoro-4-[5-methyl-2-[methyl(1H-pyrazol-4-yl)amino]pyrimidin-4-yl]phenoxy]propan-2-ol
CID 123306972
4-(3-fluoro-4-propan-2-yloxyphenyl)-1,3-thiazole-2,5-diamine
CID 82487308
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
4-(4-fluorophenyl)-N,5-dimethylpyrimidin-2-amine
CID 63548241
ethyl 2-[[4-(3-fluoro-4-methoxyphenyl)-5-methylpyrimidin-2-yl]amino]-1,3-thiazole-4-carboxylate
CID 1473051
8-(3-fluoro-4-propan-2-yloxyphenyl)-7H-purine
CID 167832358

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoro-4-propan-2-yloxyphenyl)-5-methyl-N-(1H-pyrazol-4-yl)pyrimidin-2-amine?
The IUPAC name of 4-(3-fluoro-4-propan-2-yloxyphenyl)-5-methyl-N-(1H-pyrazol-4-yl)pyrimidin-2-amine (CID 141335906) is 4-(3-fluoro-4-propan-2-yloxyphenyl)-5-methyl-N-(1H-pyrazol-4-yl)pyrimidin-2-amine.
What is the SMILES notation for 4-(3-fluoro-4-propan-2-yloxyphenyl)-5-methyl-N-(1H-pyrazol-4-yl)pyrimidin-2-amine?
The canonical SMILES for 4-(3-fluoro-4-propan-2-yloxyphenyl)-5-methyl-N-(1H-pyrazol-4-yl)pyrimidin-2-amine is Cc1cnc(Nc2cn[nH]c2)nc1-c1ccc(OC(C)C)c(F)c1.
What is the InChIKey of 4-(3-fluoro-4-propan-2-yloxyphenyl)-5-methyl-N-(1H-pyrazol-4-yl)pyrimidin-2-amine?
The InChIKey is QBSBAMGATULJBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN5O/c1-10(2)24-15-5-4-12(6-14(15)18)16-11(3)7-19-17(23-16)22-13-8-20-21-9-13/h4-10H,1-3H3,(H,20,21)(H,19,22,23).
What are the key properties of 4-(3-fluoro-4-propan-2-yloxyphenyl)-5-methyl-N-(1H-pyrazol-4-yl)pyrimidin-2-amine?
4-(3-fluoro-4-propan-2-yloxyphenyl)-5-methyl-N-(1H-pyrazol-4-yl)pyrimidin-2-amine has a molecular weight of 327.36 g/mol, XLogP of 3.85, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoro-4-propan-2-yloxyphenyl)-5-methyl-N-(1H-pyrazol-4-yl)pyrimidin-2-amine is sourced from PubChem (CID 141335906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).