4-(4-benzyl-1-methylpyrazol-3-yl)-6-chloropyrimidin-2-amine

C15H14ClN5 — CID 164626130

IUPAC4-(4-benzyl-1-methylpyrazol-3-yl)-6-chloropyrimidin-2-amine
SMILESCn1cc(Cc2ccccc2)c(-c2cc(Cl)nc(N)n2)n1
InChIInChI=1S/C15H14ClN5/c1-21-9-11(7-10-5-3-2-4-6-10)14(20-21)12-8-13(16)19-15(17)18-12/h2-6,8-9H,7H2,1H3,(H2,17,18,19)
InChIKeyWTXWEQRSCKBWII-UHFFFAOYSA-N
MW299.77 g/mol
LogP2.70
Rot. Bonds3

About 4-(4-benzyl-1-methylpyrazol-3-yl)-6-chloropyrimidin-2-amine

4-(4-benzyl-1-methylpyrazol-3-yl)-6-chloropyrimidin-2-amine (PubChem CID 164626130) has the molecular formula C15H14ClN5 and a molecular weight of 299.77 g/mol. Its IUPAC name is 4-(4-benzyl-1-methylpyrazol-3-yl)-6-chloropyrimidin-2-amine.

Molecular Properties

Compound Name4-(4-benzyl-1-methylpyrazol-3-yl)-6-chloropyrimidin-2-amine
PubChem CID164626130
Molecular FormulaC15H14ClN5
Molecular Weight299.77 g/mol
Exact Mass299.09
IUPAC Name4-(4-benzyl-1-methylpyrazol-3-yl)-6-chloropyrimidin-2-amine
SMILESCn1cc(Cc2ccccc2)c(-c2cc(Cl)nc(N)n2)n1
InChIInChI=1S/C15H14ClN5/c1-21-9-11(7-10-5-3-2-4-6-10)14(20-21)12-8-13(16)19-15(17)18-12/h2-6,8-9H,7H2,1H3,(H2,17,18,19)
InChIKeyWTXWEQRSCKBWII-UHFFFAOYSA-N
XLogP2.70
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.77
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-benzyl-1-methylpyrazol-3-yl)-6-chloropyrimidin-2-amine?
The IUPAC name of 4-(4-benzyl-1-methylpyrazol-3-yl)-6-chloropyrimidin-2-amine (CID 164626130) is 4-(4-benzyl-1-methylpyrazol-3-yl)-6-chloropyrimidin-2-amine.
What is the SMILES notation for 4-(4-benzyl-1-methylpyrazol-3-yl)-6-chloropyrimidin-2-amine?
The canonical SMILES for 4-(4-benzyl-1-methylpyrazol-3-yl)-6-chloropyrimidin-2-amine is Cn1cc(Cc2ccccc2)c(-c2cc(Cl)nc(N)n2)n1.
What is the InChIKey of 4-(4-benzyl-1-methylpyrazol-3-yl)-6-chloropyrimidin-2-amine?
The InChIKey is WTXWEQRSCKBWII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN5/c1-21-9-11(7-10-5-3-2-4-6-10)14(20-21)12-8-13(16)19-15(17)18-12/h2-6,8-9H,7H2,1H3,(H2,17,18,19).
What are the key properties of 4-(4-benzyl-1-methylpyrazol-3-yl)-6-chloropyrimidin-2-amine?
4-(4-benzyl-1-methylpyrazol-3-yl)-6-chloropyrimidin-2-amine has a molecular weight of 299.77 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-benzyl-1-methylpyrazol-3-yl)-6-chloropyrimidin-2-amine is sourced from PubChem (CID 164626130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).