4-chloro-6-[4-[(3-chlorophenyl)methyl]-1,5-dimethylpyrazol-3-yl]pyrimidin-2-amine

C16H15Cl2N5 — CID 164620241

IUPAC4-chloro-6-[4-[(3-chlorophenyl)methyl]-1,5-dimethylpyrazol-3-yl]pyrimidin-2-amine
SMILESCc1c(Cc2cccc(Cl)c2)c(-c2cc(Cl)nc(N)n2)nn1C
InChIInChI=1S/C16H15Cl2N5/c1-9-12(7-10-4-3-5-11(17)6-10)15(22-23(9)2)13-8-14(18)21-16(19)20-13/h3-6,8H,7H2,1-2H3,(H2,19,20,21)
InChIKeyXFVJNXLPCXULQQ-UHFFFAOYSA-N
MW348.24 g/mol
LogP3.67
Rot. Bonds3

About 4-chloro-6-[4-[(3-chlorophenyl)methyl]-1,5-dimethylpyrazol-3-yl]pyrimidin-2-amine

4-chloro-6-[4-[(3-chlorophenyl)methyl]-1,5-dimethylpyrazol-3-yl]pyrimidin-2-amine (PubChem CID 164620241) has the molecular formula C16H15Cl2N5 and a molecular weight of 348.24 g/mol. Its IUPAC name is 4-chloro-6-[4-[(3-chlorophenyl)methyl]-1,5-dimethylpyrazol-3-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-chloro-6-[4-[(3-chlorophenyl)methyl]-1,5-dimethylpyrazol-3-yl]pyrimidin-2-amine
PubChem CID164620241
Molecular FormulaC16H15Cl2N5
Molecular Weight348.24 g/mol
Exact Mass347.07
IUPAC Name4-chloro-6-[4-[(3-chlorophenyl)methyl]-1,5-dimethylpyrazol-3-yl]pyrimidin-2-amine
SMILESCc1c(Cc2cccc(Cl)c2)c(-c2cc(Cl)nc(N)n2)nn1C
InChIInChI=1S/C16H15Cl2N5/c1-9-12(7-10-4-3-5-11(17)6-10)15(22-23(9)2)13-8-14(18)21-16(19)20-13/h3-6,8H,7H2,1-2H3,(H2,19,20,21)
InChIKeyXFVJNXLPCXULQQ-UHFFFAOYSA-N
XLogP3.67
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.24
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-[4-[(3-chlorophenyl)methyl]-1,5-dimethylpyrazol-3-yl]pyrimidin-2-amine?
The IUPAC name of 4-chloro-6-[4-[(3-chlorophenyl)methyl]-1,5-dimethylpyrazol-3-yl]pyrimidin-2-amine (CID 164620241) is 4-chloro-6-[4-[(3-chlorophenyl)methyl]-1,5-dimethylpyrazol-3-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-chloro-6-[4-[(3-chlorophenyl)methyl]-1,5-dimethylpyrazol-3-yl]pyrimidin-2-amine?
The canonical SMILES for 4-chloro-6-[4-[(3-chlorophenyl)methyl]-1,5-dimethylpyrazol-3-yl]pyrimidin-2-amine is Cc1c(Cc2cccc(Cl)c2)c(-c2cc(Cl)nc(N)n2)nn1C.
What is the InChIKey of 4-chloro-6-[4-[(3-chlorophenyl)methyl]-1,5-dimethylpyrazol-3-yl]pyrimidin-2-amine?
The InChIKey is XFVJNXLPCXULQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2N5/c1-9-12(7-10-4-3-5-11(17)6-10)15(22-23(9)2)13-8-14(18)21-16(19)20-13/h3-6,8H,7H2,1-2H3,(H2,19,20,21).
What are the key properties of 4-chloro-6-[4-[(3-chlorophenyl)methyl]-1,5-dimethylpyrazol-3-yl]pyrimidin-2-amine?
4-chloro-6-[4-[(3-chlorophenyl)methyl]-1,5-dimethylpyrazol-3-yl]pyrimidin-2-amine has a molecular weight of 348.24 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-[4-[(3-chlorophenyl)methyl]-1,5-dimethylpyrazol-3-yl]pyrimidin-2-amine is sourced from PubChem (CID 164620241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).