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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Related Compounds

5-chloro-4-N-methyl-2-N-phenylpyrimidine-2,4-diamine
CID 71458913
5-methyl-2-N-(2-methylpyrazol-3-yl)pyrimidine-2,4-diamine
CID 69083953
4-methyl-N-(2-methylpyrazol-3-yl)pyrimidin-2-amine
CID 145343991
4-N-[2-[di(propan-2-yl)amino]ethyl]-5-methyl-2-N-(2-methylpyrazol-3-yl)pyrimidine-2,4-diamine
CID 117088798
5-chloro-2-N-ethyl-4-N-methylpyrimidine-2,4-diamine
CID 80769890
5-chloro-2-N-(1H-indazol-5-yl)-4-N-methylpyrimidine-2,4-diamine
CID 166380400
4-(2-fluoro-4-pyridinyl)-N-(2-methylpyrazol-3-yl)pyrimidin-2-amine
CID 118209477
4-[5-chloro-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-N-[(2,4-dichlorophenyl)methyl]thiophene-2-carboxamide
CID 170563493
5-chloro-6-[[5-chloro-4-(methylamino)pyrimidin-2-yl]amino]-3H-1,3-benzoxazol-2-one
CID 71577817
5-chloro-4-N-(4-fluorophenyl)-2-N-methylpyrimidine-2,4-diamine
CID 80761316
2-[5-chloro-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-6,6-dimethyl-5-(2-morpholin-4-ylethyl)thieno[2,3-c]pyrrol-4-one
CID 121408842
5-chloro-4-N-methyl-2-N-pyrrolidin-3-ylpyrimidine-2,4-diamine
CID 175114467

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).