5-chloro-4-N-methyl-2-N-(2-methylpyrazol-3-yl)pyrimidine-2,4-diamine

C9H11ClN6 — CID 141336732

IUPAC5-chloro-4-N-methyl-2-N-(2-methylpyrazol-3-yl)pyrimidine-2,4-diamine
SMILESCNc1nc(Nc2ccnn2C)ncc1Cl
InChIInChI=1S/C9H11ClN6/c1-11-8-6(10)5-12-9(15-8)14-7-3-4-13-16(7)2/h3-5H,1-2H3,(H2,11,12,14,15)
InChIKeyMILOEPNQACDOAL-UHFFFAOYSA-N
MW238.68 g/mol
LogP1.65
Rot. Bonds3

About 5-chloro-4-N-methyl-2-N-(2-methylpyrazol-3-yl)pyrimidine-2,4-diamine

5-chloro-4-N-methyl-2-N-(2-methylpyrazol-3-yl)pyrimidine-2,4-diamine (PubChem CID 141336732) has the molecular formula C9H11ClN6 and a molecular weight of 238.68 g/mol. Its IUPAC name is 5-chloro-4-N-methyl-2-N-(2-methylpyrazol-3-yl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-chloro-4-N-methyl-2-N-(2-methylpyrazol-3-yl)pyrimidine-2,4-diamine
PubChem CID141336732
Molecular FormulaC9H11ClN6
Molecular Weight238.68 g/mol
Exact Mass238.07
IUPAC Name5-chloro-4-N-methyl-2-N-(2-methylpyrazol-3-yl)pyrimidine-2,4-diamine
SMILESCNc1nc(Nc2ccnn2C)ncc1Cl
InChIInChI=1S/C9H11ClN6/c1-11-8-6(10)5-12-9(15-8)14-7-3-4-13-16(7)2/h3-5H,1-2H3,(H2,11,12,14,15)
InChIKeyMILOEPNQACDOAL-UHFFFAOYSA-N
XLogP1.65
TPSA67.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.68
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-N-methyl-2-N-(2-methylpyrazol-3-yl)pyrimidine-2,4-diamine?
The IUPAC name of 5-chloro-4-N-methyl-2-N-(2-methylpyrazol-3-yl)pyrimidine-2,4-diamine (CID 141336732) is 5-chloro-4-N-methyl-2-N-(2-methylpyrazol-3-yl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-chloro-4-N-methyl-2-N-(2-methylpyrazol-3-yl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-chloro-4-N-methyl-2-N-(2-methylpyrazol-3-yl)pyrimidine-2,4-diamine is CNc1nc(Nc2ccnn2C)ncc1Cl.
What is the InChIKey of 5-chloro-4-N-methyl-2-N-(2-methylpyrazol-3-yl)pyrimidine-2,4-diamine?
The InChIKey is MILOEPNQACDOAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN6/c1-11-8-6(10)5-12-9(15-8)14-7-3-4-13-16(7)2/h3-5H,1-2H3,(H2,11,12,14,15).
What are the key properties of 5-chloro-4-N-methyl-2-N-(2-methylpyrazol-3-yl)pyrimidine-2,4-diamine?
5-chloro-4-N-methyl-2-N-(2-methylpyrazol-3-yl)pyrimidine-2,4-diamine has a molecular weight of 238.68 g/mol, XLogP of 1.65, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-N-methyl-2-N-(2-methylpyrazol-3-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 141336732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).