4-N-(3,5-dimethylphenyl)-6-N,2-diethyl-4-N-methylpyrimidine-4,6-diamine

C17H24N4 — CID 80940477

IUPAC4-N-(3,5-dimethylphenyl)-6-N,2-diethyl-4-N-methylpyrimidine-4,6-diamine
SMILESCCNc1cc(N(C)c2cc(C)cc(C)c2)nc(CC)n1
InChIInChI=1S/C17H24N4/c1-6-15-19-16(18-7-2)11-17(20-15)21(5)14-9-12(3)8-13(4)10-14/h8-11H,6-7H2,1-5H3,(H,18,19,20)
InChIKeyACMWNWSEPBFWFA-UHFFFAOYSA-N
MW284.41 g/mol
LogP3.86
Rot. Bonds5

About 4-N-(3,5-dimethylphenyl)-6-N,2-diethyl-4-N-methylpyrimidine-4,6-diamine

4-N-(3,5-dimethylphenyl)-6-N,2-diethyl-4-N-methylpyrimidine-4,6-diamine (PubChem CID 80940477) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is 4-N-(3,5-dimethylphenyl)-6-N,2-diethyl-4-N-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(3,5-dimethylphenyl)-6-N,2-diethyl-4-N-methylpyrimidine-4,6-diamine
PubChem CID80940477
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC Name4-N-(3,5-dimethylphenyl)-6-N,2-diethyl-4-N-methylpyrimidine-4,6-diamine
SMILESCCNc1cc(N(C)c2cc(C)cc(C)c2)nc(CC)n1
InChIInChI=1S/C17H24N4/c1-6-15-19-16(18-7-2)11-17(20-15)21(5)14-9-12(3)8-13(4)10-14/h8-11H,6-7H2,1-5H3,(H,18,19,20)
InChIKeyACMWNWSEPBFWFA-UHFFFAOYSA-N
XLogP3.86
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,5-dimethylphenyl)-2-ethyl-6-hydrazinyl-N-methylpyrimidin-4-amine
CID 80936991
4-N-(3,5-dimethylphenyl)-6-N,2-diethylpyrimidine-4,6-diamine
CID 80934313
6-N,2-diethyl-4-N-methyl-4-N-(3-methylbutan-2-yl)pyrimidine-4,6-diamine
CID 80933374
N-ethyl-6-methyl-2-[(N,3,5-trimethylanilino)methyl]pyrimidin-4-amine
CID 80658105
2-[(2-amino-2-oxoethyl)-[2-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]acetamide
CID 80934481
1-[ethyl-[2-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]-2-methylpropan-2-ol
CID 80942101
2-[[2-ethyl-6-(ethylamino)pyrimidin-4-yl]-methylamino]cyclohexan-1-ol
CID 102640092
6-N,2-diethyl-4-N-methyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-4,6-diamine
CID 80942506
6-N-ethyl-4-N,4-N-dimethyl-2-propylpyrimidine-4,6-diamine
CID 80946313
6-N-ethyl-4-N-(3-fluorophenyl)-4-N-methyl-2-propylpyrimidine-4,6-diamine
CID 80942361
4-N-butan-2-yl-4-N-butyl-6-N,2-diethylpyrimidine-4,6-diamine
CID 80934873
3-[ethyl-[2-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]propanenitrile
CID 80934943

Frequently Asked Questions

What is the IUPAC name of 4-N-(3,5-dimethylphenyl)-6-N,2-diethyl-4-N-methylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(3,5-dimethylphenyl)-6-N,2-diethyl-4-N-methylpyrimidine-4,6-diamine (CID 80940477) is 4-N-(3,5-dimethylphenyl)-6-N,2-diethyl-4-N-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(3,5-dimethylphenyl)-6-N,2-diethyl-4-N-methylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(3,5-dimethylphenyl)-6-N,2-diethyl-4-N-methylpyrimidine-4,6-diamine is CCNc1cc(N(C)c2cc(C)cc(C)c2)nc(CC)n1.
What is the InChIKey of 4-N-(3,5-dimethylphenyl)-6-N,2-diethyl-4-N-methylpyrimidine-4,6-diamine?
The InChIKey is ACMWNWSEPBFWFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4/c1-6-15-19-16(18-7-2)11-17(20-15)21(5)14-9-12(3)8-13(4)10-14/h8-11H,6-7H2,1-5H3,(H,18,19,20).
What are the key properties of 4-N-(3,5-dimethylphenyl)-6-N,2-diethyl-4-N-methylpyrimidine-4,6-diamine?
4-N-(3,5-dimethylphenyl)-6-N,2-diethyl-4-N-methylpyrimidine-4,6-diamine has a molecular weight of 284.41 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3,5-dimethylphenyl)-6-N,2-diethyl-4-N-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 80940477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).