2-ethyl-6-N,5-dimethyl-4-N-(1-methylpyrazol-4-yl)pyrimidine-4,6-diamine

C12H18N6 — CID 80992962

IUPAC2-ethyl-6-N,5-dimethyl-4-N-(1-methylpyrazol-4-yl)pyrimidine-4,6-diamine
SMILESCCc1nc(NC)c(C)c(Nc2cnn(C)c2)n1
InChIInChI=1S/C12H18N6/c1-5-10-16-11(13-3)8(2)12(17-10)15-9-6-14-18(4)7-9/h6-7H,5H2,1-4H3,(H2,13,15,16,17)
InChIKeyGVJOKDCLNAEWJP-UHFFFAOYSA-N
MW246.32 g/mol
LogP1.87
Rot. Bonds4

About 2-ethyl-6-N,5-dimethyl-4-N-(1-methylpyrazol-4-yl)pyrimidine-4,6-diamine

2-ethyl-6-N,5-dimethyl-4-N-(1-methylpyrazol-4-yl)pyrimidine-4,6-diamine (PubChem CID 80992962) has the molecular formula C12H18N6 and a molecular weight of 246.32 g/mol. Its IUPAC name is 2-ethyl-6-N,5-dimethyl-4-N-(1-methylpyrazol-4-yl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-ethyl-6-N,5-dimethyl-4-N-(1-methylpyrazol-4-yl)pyrimidine-4,6-diamine
PubChem CID80992962
Molecular FormulaC12H18N6
Molecular Weight246.32 g/mol
Exact Mass246.16
IUPAC Name2-ethyl-6-N,5-dimethyl-4-N-(1-methylpyrazol-4-yl)pyrimidine-4,6-diamine
SMILESCCc1nc(NC)c(C)c(Nc2cnn(C)c2)n1
InChIInChI=1S/C12H18N6/c1-5-10-16-11(13-3)8(2)12(17-10)15-9-6-14-18(4)7-9/h6-7H,5H2,1-4H3,(H2,13,15,16,17)
InChIKeyGVJOKDCLNAEWJP-UHFFFAOYSA-N
XLogP1.87
TPSA67.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.32
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-ethyl-N,5-dimethyl-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine
CID 80975159
6-hydrazinyl-5-methyl-N-(1-methylpyrazol-4-yl)-2-propylpyrimidin-4-amine
CID 81006835
2-tert-butyl-6-N-ethyl-5-methyl-4-N-(1-methylpyrazol-4-yl)pyrimidine-4,6-diamine
CID 80992025
5-methyl-4-N-(1-methylpyrazol-4-yl)-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80991736
2-ethyl-4-N-(1-methylpyrazol-4-yl)pyrimidine-4,6-diamine
CID 80941799
4-[[2-ethyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]benzonitrile
CID 80981793
2-cyclopropyl-5-methyl-4-N-(1-methylpyrazol-4-yl)-6-N-propylpyrimidine-4,6-diamine
CID 80992491
6-N,5-dimethyl-4-N-[2-(1-methylpyrazol-4-yl)ethyl]-2-propylpyrimidine-4,6-diamine
CID 80991956
2-chloro-5-methyl-N-(1-methylpyrazol-4-yl)pyrimidin-4-amine
CID 79779087
4-N-(4-bromo-3-chlorophenyl)-2-ethyl-6-N,5-dimethylpyrimidine-4,6-diamine
CID 107617789
4-N-(3-bromo-4-chlorophenyl)-2-ethyl-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80992119
2-ethyl-6-N,5-dimethyl-4-N-(2-propan-2-ylphenyl)pyrimidine-4,6-diamine
CID 80977184

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-N,5-dimethyl-4-N-(1-methylpyrazol-4-yl)pyrimidine-4,6-diamine?
The IUPAC name of 2-ethyl-6-N,5-dimethyl-4-N-(1-methylpyrazol-4-yl)pyrimidine-4,6-diamine (CID 80992962) is 2-ethyl-6-N,5-dimethyl-4-N-(1-methylpyrazol-4-yl)pyrimidine-4,6-diamine.
What is the SMILES notation for 2-ethyl-6-N,5-dimethyl-4-N-(1-methylpyrazol-4-yl)pyrimidine-4,6-diamine?
The canonical SMILES for 2-ethyl-6-N,5-dimethyl-4-N-(1-methylpyrazol-4-yl)pyrimidine-4,6-diamine is CCc1nc(NC)c(C)c(Nc2cnn(C)c2)n1.
What is the InChIKey of 2-ethyl-6-N,5-dimethyl-4-N-(1-methylpyrazol-4-yl)pyrimidine-4,6-diamine?
The InChIKey is GVJOKDCLNAEWJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6/c1-5-10-16-11(13-3)8(2)12(17-10)15-9-6-14-18(4)7-9/h6-7H,5H2,1-4H3,(H2,13,15,16,17).
What are the key properties of 2-ethyl-6-N,5-dimethyl-4-N-(1-methylpyrazol-4-yl)pyrimidine-4,6-diamine?
2-ethyl-6-N,5-dimethyl-4-N-(1-methylpyrazol-4-yl)pyrimidine-4,6-diamine has a molecular weight of 246.32 g/mol, XLogP of 1.87, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-N,5-dimethyl-4-N-(1-methylpyrazol-4-yl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80992962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).