4-N-(3,5-dimethylphenyl)-4-N,6-N-dimethyl-5-propylpyrimidine-4,6-diamine

C17H24N4 — CID 80795100

IUPAC4-N-(3,5-dimethylphenyl)-4-N,6-N-dimethyl-5-propylpyrimidine-4,6-diamine
SMILESCCCc1c(NC)ncnc1N(C)c1cc(C)cc(C)c1
InChIInChI=1S/C17H24N4/c1-6-7-15-16(18-4)19-11-20-17(15)21(5)14-9-12(2)8-13(3)10-14/h8-11H,6-7H2,1-5H3,(H,18,19,20)
InChIKeyPLIHBVKPXAETEO-UHFFFAOYSA-N
MW284.41 g/mol
LogP3.86
Rot. Bonds5

About 4-N-(3,5-dimethylphenyl)-4-N,6-N-dimethyl-5-propylpyrimidine-4,6-diamine

4-N-(3,5-dimethylphenyl)-4-N,6-N-dimethyl-5-propylpyrimidine-4,6-diamine (PubChem CID 80795100) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is 4-N-(3,5-dimethylphenyl)-4-N,6-N-dimethyl-5-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(3,5-dimethylphenyl)-4-N,6-N-dimethyl-5-propylpyrimidine-4,6-diamine
PubChem CID80795100
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC Name4-N-(3,5-dimethylphenyl)-4-N,6-N-dimethyl-5-propylpyrimidine-4,6-diamine
SMILESCCCc1c(NC)ncnc1N(C)c1cc(C)cc(C)c1
InChIInChI=1S/C17H24N4/c1-6-7-15-16(18-4)19-11-20-17(15)21(5)14-9-12(2)8-13(3)10-14/h8-11H,6-7H2,1-5H3,(H,18,19,20)
InChIKeyPLIHBVKPXAETEO-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-methyl-5-propyl-6-(2,4,6-trimethylphenyl)pyrimidin-4-amine
CID 115503443
4-N-ethyl-6-N-methyl-5-propylpyrimidine-4,6-diamine
CID 80770650
5-ethyl-4-N-(4-fluorophenyl)-4-N,6-N-dimethylpyrimidine-4,6-diamine
CID 80815897
N-(4-fluorophenyl)-6-hydrazinyl-N-methyl-5-propylpyrimidin-4-amine
CID 80908843
6-N-ethyl-4-N,4-N-dimethyl-5-propylpyrimidine-4,6-diamine
CID 80765941
6-hydrazinyl-N-(4-methoxyphenyl)-N-methyl-5-propylpyrimidin-4-amine
CID 80900380
4-N-(cyclohexylmethyl)-4-N,6-N-dimethyl-5-propylpyrimidine-4,6-diamine
CID 80799799
4-N,6-N,5-trimethyl-4-N-(4-methylphenyl)pyrimidine-4,6-diamine
CID 80817833
6-hydrazinyl-N,N-dimethyl-5-propylpyrimidin-4-amine
CID 80932720
4-N,6-N-dimethyl-5-propyl-4-N-(2-pyridin-2-ylethyl)pyrimidine-4,6-diamine
CID 80750839
4-N,6-N-dimethyl-5-propyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine
CID 80788386
4-N-ethyl-6-N-methyl-5-propyl-4-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine
CID 80780699

Frequently Asked Questions

What is the IUPAC name of 4-N-(3,5-dimethylphenyl)-4-N,6-N-dimethyl-5-propylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(3,5-dimethylphenyl)-4-N,6-N-dimethyl-5-propylpyrimidine-4,6-diamine (CID 80795100) is 4-N-(3,5-dimethylphenyl)-4-N,6-N-dimethyl-5-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(3,5-dimethylphenyl)-4-N,6-N-dimethyl-5-propylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(3,5-dimethylphenyl)-4-N,6-N-dimethyl-5-propylpyrimidine-4,6-diamine is CCCc1c(NC)ncnc1N(C)c1cc(C)cc(C)c1.
What is the InChIKey of 4-N-(3,5-dimethylphenyl)-4-N,6-N-dimethyl-5-propylpyrimidine-4,6-diamine?
The InChIKey is PLIHBVKPXAETEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4/c1-6-7-15-16(18-4)19-11-20-17(15)21(5)14-9-12(2)8-13(3)10-14/h8-11H,6-7H2,1-5H3,(H,18,19,20).
What are the key properties of 4-N-(3,5-dimethylphenyl)-4-N,6-N-dimethyl-5-propylpyrimidine-4,6-diamine?
4-N-(3,5-dimethylphenyl)-4-N,6-N-dimethyl-5-propylpyrimidine-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)-4-N,6-N-dimethyl-5-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80795100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).