2-[(4-chloro-3-methylpyrazol-1-yl)methyl]-N,6-dimethylpyrimidin-4-amine

C11H14ClN5 — CID 80654513

IUPAC2-[(4-chloro-3-methylpyrazol-1-yl)methyl]-N,6-dimethylpyrimidin-4-amine
SMILESCNc1cc(C)nc(Cn2cc(Cl)c(C)n2)n1
InChIInChI=1S/C11H14ClN5/c1-7-4-10(13-3)15-11(14-7)6-17-5-9(12)8(2)16-17/h4-5H,6H2,1-3H3,(H,13,14,15)
InChIKeyNRKIXFLCHSITSM-UHFFFAOYSA-N
MW251.72 g/mol
LogP2.03
Rot. Bonds3

About 2-[(4-chloro-3-methylpyrazol-1-yl)methyl]-N,6-dimethylpyrimidin-4-amine

2-[(4-chloro-3-methylpyrazol-1-yl)methyl]-N,6-dimethylpyrimidin-4-amine (PubChem CID 80654513) has the molecular formula C11H14ClN5 and a molecular weight of 251.72 g/mol. Its IUPAC name is 2-[(4-chloro-3-methylpyrazol-1-yl)methyl]-N,6-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name2-[(4-chloro-3-methylpyrazol-1-yl)methyl]-N,6-dimethylpyrimidin-4-amine
PubChem CID80654513
Molecular FormulaC11H14ClN5
Molecular Weight251.72 g/mol
Exact Mass251.09
IUPAC Name2-[(4-chloro-3-methylpyrazol-1-yl)methyl]-N,6-dimethylpyrimidin-4-amine
SMILESCNc1cc(C)nc(Cn2cc(Cl)c(C)n2)n1
InChIInChI=1S/C11H14ClN5/c1-7-4-10(13-3)15-11(14-7)6-17-5-9(12)8(2)16-17/h4-5H,6H2,1-3H3,(H,13,14,15)
InChIKeyNRKIXFLCHSITSM-UHFFFAOYSA-N
XLogP2.03
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.72
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-3-methylpyrazol-1-yl)methyl]-N,6-dimethylpyrimidin-4-amine?
The IUPAC name of 2-[(4-chloro-3-methylpyrazol-1-yl)methyl]-N,6-dimethylpyrimidin-4-amine (CID 80654513) is 2-[(4-chloro-3-methylpyrazol-1-yl)methyl]-N,6-dimethylpyrimidin-4-amine.
What is the SMILES notation for 2-[(4-chloro-3-methylpyrazol-1-yl)methyl]-N,6-dimethylpyrimidin-4-amine?
The canonical SMILES for 2-[(4-chloro-3-methylpyrazol-1-yl)methyl]-N,6-dimethylpyrimidin-4-amine is CNc1cc(C)nc(Cn2cc(Cl)c(C)n2)n1.
What is the InChIKey of 2-[(4-chloro-3-methylpyrazol-1-yl)methyl]-N,6-dimethylpyrimidin-4-amine?
The InChIKey is NRKIXFLCHSITSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN5/c1-7-4-10(13-3)15-11(14-7)6-17-5-9(12)8(2)16-17/h4-5H,6H2,1-3H3,(H,13,14,15).
What are the key properties of 2-[(4-chloro-3-methylpyrazol-1-yl)methyl]-N,6-dimethylpyrimidin-4-amine?
2-[(4-chloro-3-methylpyrazol-1-yl)methyl]-N,6-dimethylpyrimidin-4-amine has a molecular weight of 251.72 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chloro-3-methylpyrazol-1-yl)methyl]-N,6-dimethylpyrimidin-4-amine is sourced from PubChem (CID 80654513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).