5-chloro-2-N,4-N-dimethyl-4-N-[(1-methylpyrazol-4-yl)methyl]pyrimidine-2,4-diamine

C11H15ClN6 — CID 80799540

IUPAC5-chloro-2-N,4-N-dimethyl-4-N-[(1-methylpyrazol-4-yl)methyl]pyrimidine-2,4-diamine
SMILESCNc1ncc(Cl)c(N(C)Cc2cnn(C)c2)n1
InChIInChI=1S/C11H15ClN6/c1-13-11-14-5-9(12)10(16-11)17(2)6-8-4-15-18(3)7-8/h4-5,7H,6H2,1-3H3,(H,13,14,16)
InChIKeyVBJSVCCRZCALSK-UHFFFAOYSA-N
MW266.74 g/mol
LogP1.54
Rot. Bonds4

About 5-chloro-2-N,4-N-dimethyl-4-N-[(1-methylpyrazol-4-yl)methyl]pyrimidine-2,4-diamine

5-chloro-2-N,4-N-dimethyl-4-N-[(1-methylpyrazol-4-yl)methyl]pyrimidine-2,4-diamine (PubChem CID 80799540) has the molecular formula C11H15ClN6 and a molecular weight of 266.74 g/mol. Its IUPAC name is 5-chloro-2-N,4-N-dimethyl-4-N-[(1-methylpyrazol-4-yl)methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-chloro-2-N,4-N-dimethyl-4-N-[(1-methylpyrazol-4-yl)methyl]pyrimidine-2,4-diamine
PubChem CID80799540
Molecular FormulaC11H15ClN6
Molecular Weight266.74 g/mol
Exact Mass266.10
IUPAC Name5-chloro-2-N,4-N-dimethyl-4-N-[(1-methylpyrazol-4-yl)methyl]pyrimidine-2,4-diamine
SMILESCNc1ncc(Cl)c(N(C)Cc2cnn(C)c2)n1
InChIInChI=1S/C11H15ClN6/c1-13-11-14-5-9(12)10(16-11)17(2)6-8-4-15-18(3)7-8/h4-5,7H,6H2,1-3H3,(H,13,14,16)
InChIKeyVBJSVCCRZCALSK-UHFFFAOYSA-N
XLogP1.54
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.74
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-N,4-N-dimethyl-4-N-[(1-methylpyrazol-4-yl)methyl]pyrimidine-2,4-diamine?
The IUPAC name of 5-chloro-2-N,4-N-dimethyl-4-N-[(1-methylpyrazol-4-yl)methyl]pyrimidine-2,4-diamine (CID 80799540) is 5-chloro-2-N,4-N-dimethyl-4-N-[(1-methylpyrazol-4-yl)methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-chloro-2-N,4-N-dimethyl-4-N-[(1-methylpyrazol-4-yl)methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 5-chloro-2-N,4-N-dimethyl-4-N-[(1-methylpyrazol-4-yl)methyl]pyrimidine-2,4-diamine is CNc1ncc(Cl)c(N(C)Cc2cnn(C)c2)n1.
What is the InChIKey of 5-chloro-2-N,4-N-dimethyl-4-N-[(1-methylpyrazol-4-yl)methyl]pyrimidine-2,4-diamine?
The InChIKey is VBJSVCCRZCALSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN6/c1-13-11-14-5-9(12)10(16-11)17(2)6-8-4-15-18(3)7-8/h4-5,7H,6H2,1-3H3,(H,13,14,16).
What are the key properties of 5-chloro-2-N,4-N-dimethyl-4-N-[(1-methylpyrazol-4-yl)methyl]pyrimidine-2,4-diamine?
5-chloro-2-N,4-N-dimethyl-4-N-[(1-methylpyrazol-4-yl)methyl]pyrimidine-2,4-diamine has a molecular weight of 266.74 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-N,4-N-dimethyl-4-N-[(1-methylpyrazol-4-yl)methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 80799540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).