2-ethyl-6-N-methyl-4-N-(3-propan-2-ylphenyl)pyrimidine-4,6-diamine

C16H22N4 — CID 80933742

IUPAC2-ethyl-6-N-methyl-4-N-(3-propan-2-ylphenyl)pyrimidine-4,6-diamine
SMILESCCc1nc(NC)cc(Nc2cccc(C(C)C)c2)n1
InChIInChI=1S/C16H22N4/c1-5-14-19-15(17-4)10-16(20-14)18-13-8-6-7-12(9-13)11(2)3/h6-11H,5H2,1-4H3,(H2,17,18,19,20)
InChIKeyNJDXTCXXTBSMEL-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.95
Rot. Bonds5

About 2-ethyl-6-N-methyl-4-N-(3-propan-2-ylphenyl)pyrimidine-4,6-diamine

2-ethyl-6-N-methyl-4-N-(3-propan-2-ylphenyl)pyrimidine-4,6-diamine (PubChem CID 80933742) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is 2-ethyl-6-N-methyl-4-N-(3-propan-2-ylphenyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-ethyl-6-N-methyl-4-N-(3-propan-2-ylphenyl)pyrimidine-4,6-diamine
PubChem CID80933742
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC Name2-ethyl-6-N-methyl-4-N-(3-propan-2-ylphenyl)pyrimidine-4,6-diamine
SMILESCCc1nc(NC)cc(Nc2cccc(C(C)C)c2)n1
InChIInChI=1S/C16H22N4/c1-5-14-19-15(17-4)10-16(20-14)18-13-8-6-7-12(9-13)11(2)3/h6-11H,5H2,1-4H3,(H2,17,18,19,20)
InChIKeyNJDXTCXXTBSMEL-UHFFFAOYSA-N
XLogP3.95
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(4-bromo-3-chlorophenyl)-2-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 107617788
2-ethyl-4-N-(4-methoxyphenyl)-6-N-methylpyrimidine-4,6-diamine
CID 80933993
6-N-methyl-4-N-(3-methylphenyl)-2-propylpyrimidine-4,6-diamine
CID 80945398
2-ethyl-N-methyl-6-propan-2-ylpyrimidin-4-amine
CID 62192702
4-N-(2,3-dimethylphenyl)-2-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 80934005
2-ethyl-4-N-(4-propan-2-ylphenyl)pyrimidine-4,6-diamine
CID 80933746
4-N-(1,3-benzothiazol-6-yl)-2-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 107801951
6-N-methyl-4-N-(4-propan-2-ylphenyl)pyrimidine-2,4,6-triamine
CID 80769134
2-ethyl-N-methyl-6-(2-methyl-5-propan-2-ylphenoxy)pyrimidin-4-amine
CID 80938888
2-chloro-N-(3-propan-2-ylphenyl)pyrimidin-4-amine
CID 60726103
6-chloro-N-(3-propan-2-ylphenyl)pyridazin-3-amine
CID 43090207
1-[[2-ethyl-6-(methylamino)pyrimidin-4-yl]amino]propan-2-ol
CID 80933620

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-N-methyl-4-N-(3-propan-2-ylphenyl)pyrimidine-4,6-diamine?
The IUPAC name of 2-ethyl-6-N-methyl-4-N-(3-propan-2-ylphenyl)pyrimidine-4,6-diamine (CID 80933742) is 2-ethyl-6-N-methyl-4-N-(3-propan-2-ylphenyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 2-ethyl-6-N-methyl-4-N-(3-propan-2-ylphenyl)pyrimidine-4,6-diamine?
The canonical SMILES for 2-ethyl-6-N-methyl-4-N-(3-propan-2-ylphenyl)pyrimidine-4,6-diamine is CCc1nc(NC)cc(Nc2cccc(C(C)C)c2)n1.
What is the InChIKey of 2-ethyl-6-N-methyl-4-N-(3-propan-2-ylphenyl)pyrimidine-4,6-diamine?
The InChIKey is NJDXTCXXTBSMEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-5-14-19-15(17-4)10-16(20-14)18-13-8-6-7-12(9-13)11(2)3/h6-11H,5H2,1-4H3,(H2,17,18,19,20).
What are the key properties of 2-ethyl-6-N-methyl-4-N-(3-propan-2-ylphenyl)pyrimidine-4,6-diamine?
2-ethyl-6-N-methyl-4-N-(3-propan-2-ylphenyl)pyrimidine-4,6-diamine has a molecular weight of 270.38 g/mol, XLogP of 3.95, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-N-methyl-4-N-(3-propan-2-ylphenyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80933742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).