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

C14H14ClN7 — CID 164625888

IUPAC4-chloro-6-[1,5-dimethyl-4-(pyrimidin-2-ylmethyl)pyrazol-3-yl]pyrimidin-2-amine
SMILESCc1c(Cc2ncccn2)c(-c2cc(Cl)nc(N)n2)nn1C
InChIInChI=1S/C14H14ClN7/c1-8-9(6-12-17-4-3-5-18-12)13(21-22(8)2)10-7-11(15)20-14(16)19-10/h3-5,7H,6H2,1-2H3,(H2,16,19,20)
InChIKeyJLJCJTJAAXNPEY-UHFFFAOYSA-N
MW315.77 g/mol
LogP1.80
Rot. Bonds3

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

4-chloro-6-[1,5-dimethyl-4-(pyrimidin-2-ylmethyl)pyrazol-3-yl]pyrimidin-2-amine (PubChem CID 164625888) has the molecular formula C14H14ClN7 and a molecular weight of 315.77 g/mol. Its IUPAC name is 4-chloro-6-[1,5-dimethyl-4-(pyrimidin-2-ylmethyl)pyrazol-3-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-chloro-6-[1,5-dimethyl-4-(pyrimidin-2-ylmethyl)pyrazol-3-yl]pyrimidin-2-amine
PubChem CID164625888
Molecular FormulaC14H14ClN7
Molecular Weight315.77 g/mol
Exact Mass315.10
IUPAC Name4-chloro-6-[1,5-dimethyl-4-(pyrimidin-2-ylmethyl)pyrazol-3-yl]pyrimidin-2-amine
SMILESCc1c(Cc2ncccn2)c(-c2cc(Cl)nc(N)n2)nn1C
InChIInChI=1S/C14H14ClN7/c1-8-9(6-12-17-4-3-5-18-12)13(21-22(8)2)10-7-11(15)20-14(16)19-10/h3-5,7H,6H2,1-2H3,(H2,16,19,20)
InChIKeyJLJCJTJAAXNPEY-UHFFFAOYSA-N
XLogP1.80
TPSA95.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.77
LogP ≤ 51.80
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-(pyrimidin-2-ylmethyl)pyrazol-3-yl]pyrimidin-2-amine?
The IUPAC name of 4-chloro-6-[1,5-dimethyl-4-(pyrimidin-2-ylmethyl)pyrazol-3-yl]pyrimidin-2-amine (CID 164625888) is 4-chloro-6-[1,5-dimethyl-4-(pyrimidin-2-ylmethyl)pyrazol-3-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-chloro-6-[1,5-dimethyl-4-(pyrimidin-2-ylmethyl)pyrazol-3-yl]pyrimidin-2-amine?
The canonical SMILES for 4-chloro-6-[1,5-dimethyl-4-(pyrimidin-2-ylmethyl)pyrazol-3-yl]pyrimidin-2-amine is Cc1c(Cc2ncccn2)c(-c2cc(Cl)nc(N)n2)nn1C.
What is the InChIKey of 4-chloro-6-[1,5-dimethyl-4-(pyrimidin-2-ylmethyl)pyrazol-3-yl]pyrimidin-2-amine?
The InChIKey is JLJCJTJAAXNPEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN7/c1-8-9(6-12-17-4-3-5-18-12)13(21-22(8)2)10-7-11(15)20-14(16)19-10/h3-5,7H,6H2,1-2H3,(H2,16,19,20).
What are the key properties of 4-chloro-6-[1,5-dimethyl-4-(pyrimidin-2-ylmethyl)pyrazol-3-yl]pyrimidin-2-amine?
4-chloro-6-[1,5-dimethyl-4-(pyrimidin-2-ylmethyl)pyrazol-3-yl]pyrimidin-2-amine has a molecular weight of 315.77 g/mol, XLogP of 1.80, 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-(pyrimidin-2-ylmethyl)pyrazol-3-yl]pyrimidin-2-amine is sourced from PubChem (CID 164625888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).