2-ethyl-N-propyl-6-(3-propylphenyl)pyrimidin-4-amine

C18H25N3 — CID 116546086

IUPAC2-ethyl-N-propyl-6-(3-propylphenyl)pyrimidin-4-amine
SMILESCCCNc1cc(-c2cccc(CCC)c2)nc(CC)n1
InChIInChI=1S/C18H25N3/c1-4-8-14-9-7-10-15(12-14)16-13-18(19-11-5-2)21-17(6-3)20-16/h7,9-10,12-13H,4-6,8,11H2,1-3H3,(H,19,20,21)
InChIKeyIMDLULDMLOARQJ-UHFFFAOYSA-N
MW283.42 g/mol
LogP4.48
Rot. Bonds7

About 2-ethyl-N-propyl-6-(3-propylphenyl)pyrimidin-4-amine

2-ethyl-N-propyl-6-(3-propylphenyl)pyrimidin-4-amine (PubChem CID 116546086) has the molecular formula C18H25N3 and a molecular weight of 283.42 g/mol. Its IUPAC name is 2-ethyl-N-propyl-6-(3-propylphenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-ethyl-N-propyl-6-(3-propylphenyl)pyrimidin-4-amine
PubChem CID116546086
Molecular FormulaC18H25N3
Molecular Weight283.42 g/mol
Exact Mass283.20
IUPAC Name2-ethyl-N-propyl-6-(3-propylphenyl)pyrimidin-4-amine
SMILESCCCNc1cc(-c2cccc(CCC)c2)nc(CC)n1
InChIInChI=1S/C18H25N3/c1-4-8-14-9-7-10-15(12-14)16-13-18(19-11-5-2)21-17(6-3)20-16/h7,9-10,12-13H,4-6,8,11H2,1-3H3,(H,19,20,21)
InChIKeyIMDLULDMLOARQJ-UHFFFAOYSA-N
XLogP4.48
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-phenyl-N,2-dipropylpyrimidin-4-amine
CID 55193281
N,2-diethyl-6-(3-fluorophenyl)pyrimidin-4-amine
CID 80936579
2-ethyl-6-(4-methoxyphenyl)-N-propylpyrimidin-4-amine
CID 80936844
N-ethyl-6-(3-fluorophenyl)-2-propylpyrimidin-4-amine
CID 80945378
N-methyl-6-(3-propylphenyl)pyridin-2-amine
CID 116546076
2-ethyl-6-(2-fluorophenyl)-N-propylpyrimidin-4-amine
CID 80936849
N,2-diethyl-6-pyridin-3-ylpyrimidin-4-amine
CID 78990312
2-[(3-chlorophenyl)methyl]-N,6-dipropylpyrimidin-4-amine
CID 63486808
2-ethyl-4-N-[(4-fluorophenyl)methyl]-6-N-propylpyrimidine-4,6-diamine
CID 80939677
6-(5-chlorothiophen-2-yl)-2-ethyl-N-propylpyrimidin-4-amine
CID 80933820
2-ethyl-6-[(3-methylphenyl)methylsulfanyl]-N-propylpyrimidin-4-amine
CID 80939326
6-phenyl-2-(propan-2-ylsulfanylmethyl)-N-propylpyrimidin-4-amine
CID 65132208

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-propyl-6-(3-propylphenyl)pyrimidin-4-amine?
The IUPAC name of 2-ethyl-N-propyl-6-(3-propylphenyl)pyrimidin-4-amine (CID 116546086) is 2-ethyl-N-propyl-6-(3-propylphenyl)pyrimidin-4-amine.
What is the SMILES notation for 2-ethyl-N-propyl-6-(3-propylphenyl)pyrimidin-4-amine?
The canonical SMILES for 2-ethyl-N-propyl-6-(3-propylphenyl)pyrimidin-4-amine is CCCNc1cc(-c2cccc(CCC)c2)nc(CC)n1.
What is the InChIKey of 2-ethyl-N-propyl-6-(3-propylphenyl)pyrimidin-4-amine?
The InChIKey is IMDLULDMLOARQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3/c1-4-8-14-9-7-10-15(12-14)16-13-18(19-11-5-2)21-17(6-3)20-16/h7,9-10,12-13H,4-6,8,11H2,1-3H3,(H,19,20,21).
What are the key properties of 2-ethyl-N-propyl-6-(3-propylphenyl)pyrimidin-4-amine?
2-ethyl-N-propyl-6-(3-propylphenyl)pyrimidin-4-amine has a molecular weight of 283.42 g/mol, XLogP of 4.48, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-propyl-6-(3-propylphenyl)pyrimidin-4-amine is sourced from PubChem (CID 116546086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).