2-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-ethyl-6-methylpyrimidin-4-amine

C13H18ClN5 — CID 80654658

IUPAC2-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-ethyl-6-methylpyrimidin-4-amine
SMILESCCNc1cc(C)nc(Cn2nc(C)c(Cl)c2C)n1
InChIInChI=1S/C13H18ClN5/c1-5-15-11-6-8(2)16-12(17-11)7-19-10(4)13(14)9(3)18-19/h6H,5,7H2,1-4H3,(H,15,16,17)
InChIKeyYEGUKBWOKIGWJO-UHFFFAOYSA-N
MW279.78 g/mol
LogP2.73
Rot. Bonds4

About 2-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-ethyl-6-methylpyrimidin-4-amine

2-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-ethyl-6-methylpyrimidin-4-amine (PubChem CID 80654658) has the molecular formula C13H18ClN5 and a molecular weight of 279.78 g/mol. Its IUPAC name is 2-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-ethyl-6-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-ethyl-6-methylpyrimidin-4-amine
PubChem CID80654658
Molecular FormulaC13H18ClN5
Molecular Weight279.78 g/mol
Exact Mass279.13
IUPAC Name2-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-ethyl-6-methylpyrimidin-4-amine
SMILESCCNc1cc(C)nc(Cn2nc(C)c(Cl)c2C)n1
InChIInChI=1S/C13H18ClN5/c1-5-15-11-6-8(2)16-12(17-11)7-19-10(4)13(14)9(3)18-19/h6H,5,7H2,1-4H3,(H,15,16,17)
InChIKeyYEGUKBWOKIGWJO-UHFFFAOYSA-N
XLogP2.73
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.78
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-ethyl-6-methylpyrimidin-4-amine?
The IUPAC name of 2-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-ethyl-6-methylpyrimidin-4-amine (CID 80654658) is 2-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-ethyl-6-methylpyrimidin-4-amine.
What is the SMILES notation for 2-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-ethyl-6-methylpyrimidin-4-amine?
The canonical SMILES for 2-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-ethyl-6-methylpyrimidin-4-amine is CCNc1cc(C)nc(Cn2nc(C)c(Cl)c2C)n1.
What is the InChIKey of 2-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-ethyl-6-methylpyrimidin-4-amine?
The InChIKey is YEGUKBWOKIGWJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN5/c1-5-15-11-6-8(2)16-12(17-11)7-19-10(4)13(14)9(3)18-19/h6H,5,7H2,1-4H3,(H,15,16,17).
What are the key properties of 2-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-ethyl-6-methylpyrimidin-4-amine?
2-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-ethyl-6-methylpyrimidin-4-amine has a molecular weight of 279.78 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-ethyl-6-methylpyrimidin-4-amine is sourced from PubChem (CID 80654658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).