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

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

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Related Compounds

5-chloro-2-N,4-N-dimethyl-4-N-(2-pyrrolidin-1-ylethyl)pyrimidine-2,4-diamine
CID 80829025
4-N,5-dimethyl-4-N-[(1-methylpyrazol-4-yl)methyl]-2-N-propylpyrimidine-2,4-diamine
CID 80799465
5-(aminomethyl)-3-chloro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyridin-2-amine
CID 55054503
5-chloro-2-N,4-N-dimethyl-4-N-[(2-methylcyclopropyl)methyl]pyrimidine-2,4-diamine
CID 80839936
5-chloro-2-N,4-N-dimethyl-4-N-(2-methylsulfanylethyl)pyrimidine-2,4-diamine
CID 112667666
5-chloro-N-[(4-chlorophenyl)methyl]-2-hydrazinyl-N-methylpyrimidin-4-amine
CID 80896298
5-chloro-4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-1H-pyrimidin-6-one
CID 136971007
N,3-dimethyl-5-(methylaminomethyl)-N-[(1-methylpyrazol-4-yl)methyl]pyridin-2-amine
CID 80630432
5-chloro-N-ethyl-2-methoxy-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-4-amine
CID 100690694
5-(ethylaminomethyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazin-2-amine
CID 107379754
3-bromo-2-N-methyl-2-N-[(1-methylpyrazol-4-yl)methyl]pyridine-2,5-diamine
CID 79532541
6-N,5-diethyl-4-N-methyl-4-N-[(1-methylpyrazol-4-yl)methyl]pyrimidine-4,6-diamine
CID 80799762

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).