4-(1,3-dimethylpyrazol-4-yl)-N-[(4-fluorophenyl)methyl]-N-methylpyrimidin-2-amine

C17H18FN5 — CID 46994629

IUPAC4-(1,3-dimethylpyrazol-4-yl)-N-[(4-fluorophenyl)methyl]-N-methylpyrimidin-2-amine
SMILESCc1nn(C)cc1-c1ccnc(N(C)Cc2ccc(F)cc2)n1
InChIInChI=1S/C17H18FN5/c1-12-15(11-23(3)21-12)16-8-9-19-17(20-16)22(2)10-13-4-6-14(18)7-5-13/h4-9,11H,10H2,1-3H3
InChIKeyVOHRHTFBGUOJAZ-UHFFFAOYSA-N
MW311.36 g/mol
LogP2.96
Rot. Bonds4

About 4-(1,3-dimethylpyrazol-4-yl)-N-[(4-fluorophenyl)methyl]-N-methylpyrimidin-2-amine

4-(1,3-dimethylpyrazol-4-yl)-N-[(4-fluorophenyl)methyl]-N-methylpyrimidin-2-amine (PubChem CID 46994629) has the molecular formula C17H18FN5 and a molecular weight of 311.36 g/mol. Its IUPAC name is 4-(1,3-dimethylpyrazol-4-yl)-N-[(4-fluorophenyl)methyl]-N-methylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(1,3-dimethylpyrazol-4-yl)-N-[(4-fluorophenyl)methyl]-N-methylpyrimidin-2-amine
PubChem CID46994629
Molecular FormulaC17H18FN5
Molecular Weight311.36 g/mol
Exact Mass311.15
IUPAC Name4-(1,3-dimethylpyrazol-4-yl)-N-[(4-fluorophenyl)methyl]-N-methylpyrimidin-2-amine
SMILESCc1nn(C)cc1-c1ccnc(N(C)Cc2ccc(F)cc2)n1
InChIInChI=1S/C17H18FN5/c1-12-15(11-23(3)21-12)16-8-9-19-17(20-16)22(2)10-13-4-6-14(18)7-5-13/h4-9,11H,10H2,1-3H3
InChIKeyVOHRHTFBGUOJAZ-UHFFFAOYSA-N
XLogP2.96
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(1,3-dimethylpyrazol-4-yl)-N-[(4-fluorophenyl)methyl]-N-methylpyrimidin-2-amine?
The IUPAC name of 4-(1,3-dimethylpyrazol-4-yl)-N-[(4-fluorophenyl)methyl]-N-methylpyrimidin-2-amine (CID 46994629) is 4-(1,3-dimethylpyrazol-4-yl)-N-[(4-fluorophenyl)methyl]-N-methylpyrimidin-2-amine.
What is the SMILES notation for 4-(1,3-dimethylpyrazol-4-yl)-N-[(4-fluorophenyl)methyl]-N-methylpyrimidin-2-amine?
The canonical SMILES for 4-(1,3-dimethylpyrazol-4-yl)-N-[(4-fluorophenyl)methyl]-N-methylpyrimidin-2-amine is Cc1nn(C)cc1-c1ccnc(N(C)Cc2ccc(F)cc2)n1.
What is the InChIKey of 4-(1,3-dimethylpyrazol-4-yl)-N-[(4-fluorophenyl)methyl]-N-methylpyrimidin-2-amine?
The InChIKey is VOHRHTFBGUOJAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN5/c1-12-15(11-23(3)21-12)16-8-9-19-17(20-16)22(2)10-13-4-6-14(18)7-5-13/h4-9,11H,10H2,1-3H3.
What are the key properties of 4-(1,3-dimethylpyrazol-4-yl)-N-[(4-fluorophenyl)methyl]-N-methylpyrimidin-2-amine?
4-(1,3-dimethylpyrazol-4-yl)-N-[(4-fluorophenyl)methyl]-N-methylpyrimidin-2-amine has a molecular weight of 311.36 g/mol, XLogP of 2.96, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-dimethylpyrazol-4-yl)-N-[(4-fluorophenyl)methyl]-N-methylpyrimidin-2-amine is sourced from PubChem (CID 46994629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).