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

C15H13Cl2N5 — CID 166101462

IUPAC4-chloro-6-[4-[(3-chlorophenyl)methyl]-1-methylpyrazol-3-yl]pyrimidin-2-amine
SMILESCn1cc(Cc2cccc(Cl)c2)c(-c2cc(Cl)nc(N)n2)n1
InChIInChI=1S/C15H13Cl2N5/c1-22-8-10(5-9-3-2-4-11(16)6-9)14(21-22)12-7-13(17)20-15(18)19-12/h2-4,6-8H,5H2,1H3,(H2,18,19,20)
InChIKeyBRXIUSBDLRXLRM-UHFFFAOYSA-N
MW334.21 g/mol
LogP3.36
Rot. Bonds3

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

4-chloro-6-[4-[(3-chlorophenyl)methyl]-1-methylpyrazol-3-yl]pyrimidin-2-amine (PubChem CID 166101462) has the molecular formula C15H13Cl2N5 and a molecular weight of 334.21 g/mol. Its IUPAC name is 4-chloro-6-[4-[(3-chlorophenyl)methyl]-1-methylpyrazol-3-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-chloro-6-[4-[(3-chlorophenyl)methyl]-1-methylpyrazol-3-yl]pyrimidin-2-amine
PubChem CID166101462
Molecular FormulaC15H13Cl2N5
Molecular Weight334.21 g/mol
Exact Mass333.05
IUPAC Name4-chloro-6-[4-[(3-chlorophenyl)methyl]-1-methylpyrazol-3-yl]pyrimidin-2-amine
SMILESCn1cc(Cc2cccc(Cl)c2)c(-c2cc(Cl)nc(N)n2)n1
InChIInChI=1S/C15H13Cl2N5/c1-22-8-10(5-9-3-2-4-11(16)6-9)14(21-22)12-7-13(17)20-15(18)19-12/h2-4,6-8H,5H2,1H3,(H2,18,19,20)
InChIKeyBRXIUSBDLRXLRM-UHFFFAOYSA-N
XLogP3.36
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.21
LogP ≤ 53.36
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-methylpyrazol-3-yl]pyrimidin-2-amine?
The IUPAC name of 4-chloro-6-[4-[(3-chlorophenyl)methyl]-1-methylpyrazol-3-yl]pyrimidin-2-amine (CID 166101462) is 4-chloro-6-[4-[(3-chlorophenyl)methyl]-1-methylpyrazol-3-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-chloro-6-[4-[(3-chlorophenyl)methyl]-1-methylpyrazol-3-yl]pyrimidin-2-amine?
The canonical SMILES for 4-chloro-6-[4-[(3-chlorophenyl)methyl]-1-methylpyrazol-3-yl]pyrimidin-2-amine is Cn1cc(Cc2cccc(Cl)c2)c(-c2cc(Cl)nc(N)n2)n1.
What is the InChIKey of 4-chloro-6-[4-[(3-chlorophenyl)methyl]-1-methylpyrazol-3-yl]pyrimidin-2-amine?
The InChIKey is BRXIUSBDLRXLRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2N5/c1-22-8-10(5-9-3-2-4-11(16)6-9)14(21-22)12-7-13(17)20-15(18)19-12/h2-4,6-8H,5H2,1H3,(H2,18,19,20).
What are the key properties of 4-chloro-6-[4-[(3-chlorophenyl)methyl]-1-methylpyrazol-3-yl]pyrimidin-2-amine?
4-chloro-6-[4-[(3-chlorophenyl)methyl]-1-methylpyrazol-3-yl]pyrimidin-2-amine has a molecular weight of 334.21 g/mol, XLogP of 3.36, 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-methylpyrazol-3-yl]pyrimidin-2-amine is sourced from PubChem (CID 166101462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).