4-chloro-6-[1,5-dimethyl-4-[(2-methylpyrazol-3-yl)methyl]pyrazol-3-yl]pyrimidin-2-amine

C14H16ClN7 — CID 164617349

IUPAC4-chloro-6-[1,5-dimethyl-4-[(2-methylpyrazol-3-yl)methyl]pyrazol-3-yl]pyrimidin-2-amine
SMILESCc1c(Cc2ccnn2C)c(-c2cc(Cl)nc(N)n2)nn1C
InChIInChI=1S/C14H16ClN7/c1-8-10(6-9-4-5-17-22(9)3)13(20-21(8)2)11-7-12(15)19-14(16)18-11/h4-5,7H,6H2,1-3H3,(H2,16,18,19)
InChIKeyZGUOXFQGWSWILI-UHFFFAOYSA-N
MW317.78 g/mol
LogP1.75
Rot. Bonds3

About 4-chloro-6-[1,5-dimethyl-4-[(2-methylpyrazol-3-yl)methyl]pyrazol-3-yl]pyrimidin-2-amine

4-chloro-6-[1,5-dimethyl-4-[(2-methylpyrazol-3-yl)methyl]pyrazol-3-yl]pyrimidin-2-amine (PubChem CID 164617349) has the molecular formula C14H16ClN7 and a molecular weight of 317.78 g/mol. Its IUPAC name is 4-chloro-6-[1,5-dimethyl-4-[(2-methylpyrazol-3-yl)methyl]pyrazol-3-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-chloro-6-[1,5-dimethyl-4-[(2-methylpyrazol-3-yl)methyl]pyrazol-3-yl]pyrimidin-2-amine
PubChem CID164617349
Molecular FormulaC14H16ClN7
Molecular Weight317.78 g/mol
Exact Mass317.12
IUPAC Name4-chloro-6-[1,5-dimethyl-4-[(2-methylpyrazol-3-yl)methyl]pyrazol-3-yl]pyrimidin-2-amine
SMILESCc1c(Cc2ccnn2C)c(-c2cc(Cl)nc(N)n2)nn1C
InChIInChI=1S/C14H16ClN7/c1-8-10(6-9-4-5-17-22(9)3)13(20-21(8)2)11-7-12(15)19-14(16)18-11/h4-5,7H,6H2,1-3H3,(H2,16,18,19)
InChIKeyZGUOXFQGWSWILI-UHFFFAOYSA-N
XLogP1.75
TPSA87.44 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.78
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-[1,5-dimethyl-4-[(2-methylpyrazol-3-yl)methyl]pyrazol-3-yl]pyrimidin-2-amine?
The IUPAC name of 4-chloro-6-[1,5-dimethyl-4-[(2-methylpyrazol-3-yl)methyl]pyrazol-3-yl]pyrimidin-2-amine (CID 164617349) is 4-chloro-6-[1,5-dimethyl-4-[(2-methylpyrazol-3-yl)methyl]pyrazol-3-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-chloro-6-[1,5-dimethyl-4-[(2-methylpyrazol-3-yl)methyl]pyrazol-3-yl]pyrimidin-2-amine?
The canonical SMILES for 4-chloro-6-[1,5-dimethyl-4-[(2-methylpyrazol-3-yl)methyl]pyrazol-3-yl]pyrimidin-2-amine is Cc1c(Cc2ccnn2C)c(-c2cc(Cl)nc(N)n2)nn1C.
What is the InChIKey of 4-chloro-6-[1,5-dimethyl-4-[(2-methylpyrazol-3-yl)methyl]pyrazol-3-yl]pyrimidin-2-amine?
The InChIKey is ZGUOXFQGWSWILI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN7/c1-8-10(6-9-4-5-17-22(9)3)13(20-21(8)2)11-7-12(15)19-14(16)18-11/h4-5,7H,6H2,1-3H3,(H2,16,18,19).
What are the key properties of 4-chloro-6-[1,5-dimethyl-4-[(2-methylpyrazol-3-yl)methyl]pyrazol-3-yl]pyrimidin-2-amine?
4-chloro-6-[1,5-dimethyl-4-[(2-methylpyrazol-3-yl)methyl]pyrazol-3-yl]pyrimidin-2-amine has a molecular weight of 317.78 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-[1,5-dimethyl-4-[(2-methylpyrazol-3-yl)methyl]pyrazol-3-yl]pyrimidin-2-amine is sourced from PubChem (CID 164617349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).