5-(3-fluoro-5-methoxyphenyl)-2-N-(1-methylpyrazol-4-yl)pyrimidine-2,4-diamine

C15H15FN6O — CID 163281294

IUPAC5-(3-fluoro-5-methoxyphenyl)-2-N-(1-methylpyrazol-4-yl)pyrimidine-2,4-diamine
SMILESCOc1cc(F)cc(-c2cnc(Nc3cnn(C)c3)nc2N)c1
InChIInChI=1S/C15H15FN6O/c1-22-8-11(6-19-22)20-15-18-7-13(14(17)21-15)9-3-10(16)5-12(4-9)23-2/h3-8H,1-2H3,(H3,17,18,20,21)
InChIKeyGMWNDDJQPSGDFI-UHFFFAOYSA-N
MW314.32 g/mol
LogP2.35
Rot. Bonds4

About 5-(3-fluoro-5-methoxyphenyl)-2-N-(1-methylpyrazol-4-yl)pyrimidine-2,4-diamine

5-(3-fluoro-5-methoxyphenyl)-2-N-(1-methylpyrazol-4-yl)pyrimidine-2,4-diamine (PubChem CID 163281294) has the molecular formula C15H15FN6O and a molecular weight of 314.32 g/mol. Its IUPAC name is 5-(3-fluoro-5-methoxyphenyl)-2-N-(1-methylpyrazol-4-yl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-(3-fluoro-5-methoxyphenyl)-2-N-(1-methylpyrazol-4-yl)pyrimidine-2,4-diamine
PubChem CID163281294
Molecular FormulaC15H15FN6O
Molecular Weight314.32 g/mol
Exact Mass314.13
IUPAC Name5-(3-fluoro-5-methoxyphenyl)-2-N-(1-methylpyrazol-4-yl)pyrimidine-2,4-diamine
SMILESCOc1cc(F)cc(-c2cnc(Nc3cnn(C)c3)nc2N)c1
InChIInChI=1S/C15H15FN6O/c1-22-8-11(6-19-22)20-15-18-7-13(14(17)21-15)9-3-10(16)5-12(4-9)23-2/h3-8H,1-2H3,(H3,17,18,20,21)
InChIKeyGMWNDDJQPSGDFI-UHFFFAOYSA-N
XLogP2.35
TPSA90.88 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.32
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-N-(3,5-dimethoxyphenyl)-5-pyrimidin-5-ylpyrimidine-2,4-diamine
CID 70900911
4-(3-fluoro-5-methoxyphenyl)-1-methylpyrazol-5-amine
CID 117315496
4-(6-amino-5-fluoro-3-pyridinyl)-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine
CID 151424564
4-amino-2-[[5-(3-ethyl-5-fluorophenyl)-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]amino]phenol
CID 163281456
3-(4-methoxyphenyl)-N-(1-methylpyrazol-4-yl)triazolo[4,5-d]pyrimidin-5-amine
CID 71667332
2-N-(1-methylpyrazol-4-yl)-1,3,5-triazine-2,4-diamine
CID 130532664
4-N-(3-aminophenyl)-5-fluoro-2-N-(1-methylpyrazol-4-yl)pyrimidine-2,4-diamine
CID 163280558
N-(2-fluoro-4-methoxyphenyl)-1-methylpyrazol-4-amine
CID 175150207
6-bromo-N-(1-methylpyrazol-4-yl)quinazolin-2-amine
CID 155777536
6-(3,5-dimethoxyphenyl)-2-N-[3-(4-methylpiperazin-1-yl)propyl]pyrido[2,3-d]pyrimidine-2,7-diamine
CID 11166502
6-[(2,6-difluoro-3-methoxyphenyl)methyl]-5-fluoro-2-N-(1-methylpyrazol-4-yl)pyrimidine-2,4-diamine
CID 90024554
2-methoxy-6-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-5-yl]pyridine-3-carbonitrile
CID 166882333

Frequently Asked Questions

What is the IUPAC name of 5-(3-fluoro-5-methoxyphenyl)-2-N-(1-methylpyrazol-4-yl)pyrimidine-2,4-diamine?
The IUPAC name of 5-(3-fluoro-5-methoxyphenyl)-2-N-(1-methylpyrazol-4-yl)pyrimidine-2,4-diamine (CID 163281294) is 5-(3-fluoro-5-methoxyphenyl)-2-N-(1-methylpyrazol-4-yl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-(3-fluoro-5-methoxyphenyl)-2-N-(1-methylpyrazol-4-yl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-(3-fluoro-5-methoxyphenyl)-2-N-(1-methylpyrazol-4-yl)pyrimidine-2,4-diamine is COc1cc(F)cc(-c2cnc(Nc3cnn(C)c3)nc2N)c1.
What is the InChIKey of 5-(3-fluoro-5-methoxyphenyl)-2-N-(1-methylpyrazol-4-yl)pyrimidine-2,4-diamine?
The InChIKey is GMWNDDJQPSGDFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN6O/c1-22-8-11(6-19-22)20-15-18-7-13(14(17)21-15)9-3-10(16)5-12(4-9)23-2/h3-8H,1-2H3,(H3,17,18,20,21).
What are the key properties of 5-(3-fluoro-5-methoxyphenyl)-2-N-(1-methylpyrazol-4-yl)pyrimidine-2,4-diamine?
5-(3-fluoro-5-methoxyphenyl)-2-N-(1-methylpyrazol-4-yl)pyrimidine-2,4-diamine has a molecular weight of 314.32 g/mol, XLogP of 2.35, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluoro-5-methoxyphenyl)-2-N-(1-methylpyrazol-4-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 163281294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).