N-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-2-(methoxymethyl)-6-methylpyrimidin-4-amine

C17H18FN5O — CID 133387403

IUPACN-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-2-(methoxymethyl)-6-methylpyrimidin-4-amine
SMILESCOCc1nc(C)cc(Nc2cnn(-c3ccccc3F)c2C)n1
InChIInChI=1S/C17H18FN5O/c1-11-8-16(22-17(20-11)10-24-3)21-14-9-19-23(12(14)2)15-7-5-4-6-13(15)18/h4-9H,10H2,1-3H3,(H,20,21,22)
InChIKeyHMYAZIZCLLKQLT-UHFFFAOYSA-N
MW327.36 g/mol
LogP3.31
Rot. Bonds5

About N-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-2-(methoxymethyl)-6-methylpyrimidin-4-amine

N-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-2-(methoxymethyl)-6-methylpyrimidin-4-amine (PubChem CID 133387403) has the molecular formula C17H18FN5O and a molecular weight of 327.36 g/mol. Its IUPAC name is N-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-2-(methoxymethyl)-6-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-2-(methoxymethyl)-6-methylpyrimidin-4-amine
PubChem CID133387403
Molecular FormulaC17H18FN5O
Molecular Weight327.36 g/mol
Exact Mass327.15
IUPAC NameN-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-2-(methoxymethyl)-6-methylpyrimidin-4-amine
SMILESCOCc1nc(C)cc(Nc2cnn(-c3ccccc3F)c2C)n1
InChIInChI=1S/C17H18FN5O/c1-11-8-16(22-17(20-11)10-24-3)21-14-9-19-23(12(14)2)15-7-5-4-6-13(15)18/h4-9H,10H2,1-3H3,(H,20,21,22)
InChIKeyHMYAZIZCLLKQLT-UHFFFAOYSA-N
XLogP3.31
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-5-nitropyridin-2-amine
CID 133387431
1-(2-fluorophenyl)-4,5-dimethylpyrazole
CID 21033985
N-(2-fluorophenyl)-2,6-dimethylpyrimidin-4-amine
CID 16876812
N-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133387437
2-[(2-fluorophenoxy)methyl]-N,6-dimethylpyrimidin-4-amine
CID 80654842
1-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-3-(4-hydroxy-2-methylphenyl)urea
CID 122150700
N-(4-fluoro-2-methoxyphenyl)-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide
CID 32612173
2-(methoxymethyl)-6-methyl-N-[[2-(3-methylpyrazol-1-yl)phenyl]methyl]pyrimidin-4-amine
CID 133375431
3-ethyl-N-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-3-hydroxyazetidine-1-carboxamide
CID 154735938
1-(2-fluorophenyl)-N-[2-[(3-methoxyphenyl)carbamoyl]phenyl]-5-methylpyrazole-4-carboxamide
CID 55520761
N'-(2-fluorobenzoyl)-1-(2-fluorophenyl)-5-methylpyrazole-4-carbohydrazide
CID 33480680
N-[1-(1-benzylpyrazol-4-yl)ethyl]-2-(methoxymethyl)-6-methylpyrimidin-4-amine
CID 133416862

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-2-(methoxymethyl)-6-methylpyrimidin-4-amine?
The IUPAC name of N-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-2-(methoxymethyl)-6-methylpyrimidin-4-amine (CID 133387403) is N-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-2-(methoxymethyl)-6-methylpyrimidin-4-amine.
What is the SMILES notation for N-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-2-(methoxymethyl)-6-methylpyrimidin-4-amine?
The canonical SMILES for N-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-2-(methoxymethyl)-6-methylpyrimidin-4-amine is COCc1nc(C)cc(Nc2cnn(-c3ccccc3F)c2C)n1.
What is the InChIKey of N-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-2-(methoxymethyl)-6-methylpyrimidin-4-amine?
The InChIKey is HMYAZIZCLLKQLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN5O/c1-11-8-16(22-17(20-11)10-24-3)21-14-9-19-23(12(14)2)15-7-5-4-6-13(15)18/h4-9H,10H2,1-3H3,(H,20,21,22).
What are the key properties of N-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-2-(methoxymethyl)-6-methylpyrimidin-4-amine?
N-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-2-(methoxymethyl)-6-methylpyrimidin-4-amine has a molecular weight of 327.36 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-2-(methoxymethyl)-6-methylpyrimidin-4-amine is sourced from PubChem (CID 133387403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).