2-(2-ethyl-4,6-dimethylpyrimidin-5-yl)-N-propylpropan-1-amine

C14H25N3 — CID 62757647

IUPAC2-(2-ethyl-4,6-dimethylpyrimidin-5-yl)-N-propylpropan-1-amine
SMILESCCCNCC(C)c1c(C)nc(CC)nc1C
InChIInChI=1S/C14H25N3/c1-6-8-15-9-10(3)14-11(4)16-13(7-2)17-12(14)5/h10,15H,6-9H2,1-5H3
InChIKeyLOZWEDKESBAFGZ-UHFFFAOYSA-N
MW235.37 g/mol
LogP2.76
Rot. Bonds6

About 2-(2-ethyl-4,6-dimethylpyrimidin-5-yl)-N-propylpropan-1-amine

2-(2-ethyl-4,6-dimethylpyrimidin-5-yl)-N-propylpropan-1-amine (PubChem CID 62757647) has the molecular formula C14H25N3 and a molecular weight of 235.37 g/mol. Its IUPAC name is 2-(2-ethyl-4,6-dimethylpyrimidin-5-yl)-N-propylpropan-1-amine.

Molecular Properties

Compound Name2-(2-ethyl-4,6-dimethylpyrimidin-5-yl)-N-propylpropan-1-amine
PubChem CID62757647
Molecular FormulaC14H25N3
Molecular Weight235.37 g/mol
Exact Mass235.20
IUPAC Name2-(2-ethyl-4,6-dimethylpyrimidin-5-yl)-N-propylpropan-1-amine
SMILESCCCNCC(C)c1c(C)nc(CC)nc1C
InChIInChI=1S/C14H25N3/c1-6-8-15-9-10(3)14-11(4)16-13(7-2)17-12(14)5/h10,15H,6-9H2,1-5H3
InChIKeyLOZWEDKESBAFGZ-UHFFFAOYSA-N
XLogP2.76
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-N,5-dibutyl-6-methylpyrimidine-2,4-diamine
CID 135271003
4-N-butyl-6-methyl-5-pentylpyrimidine-2,4-diamine
CID 135271007
5-[3-(azepan-1-yl)propyl]-4-N-butyl-6-methylpyrimidine-2,4-diamine
CID 135271008
4-N-butyl-5-[3-(dimethylamino)propyl]-6-methylpyrimidine-2,4-diamine
CID 135271012
4-N-butyl-5-[3-(diethylamino)propyl]-6-methylpyrimidine-2,4-diamine
CID 135271022
4-N-butyl-6-methyl-5-(3-piperidin-1-ylpropyl)pyrimidine-2,4-diamine
CID 135271028
4-N-butyl-6-methyl-5-(3-pyrrolidin-1-ylpropyl)pyrimidine-2,4-diamine
CID 135271038
4-N-butyl-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-diamine
CID 137381340
4-N-butyl-7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2,4-diamine
CID 137381348
4-N-butyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-diamine
CID 145979503
5-(5-aminopentyl)-4-N-butyl-6-methylpyrimidine-2,4-diamine;dihydrochloride
CID 155512682
5-(4-aminobutyl)-4-N-butyl-6-methylpyrimidine-2,4-diamine;dihydrochloride
CID 155543587

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-4,6-dimethylpyrimidin-5-yl)-N-propylpropan-1-amine?
The IUPAC name of 2-(2-ethyl-4,6-dimethylpyrimidin-5-yl)-N-propylpropan-1-amine (CID 62757647) is 2-(2-ethyl-4,6-dimethylpyrimidin-5-yl)-N-propylpropan-1-amine.
What is the SMILES notation for 2-(2-ethyl-4,6-dimethylpyrimidin-5-yl)-N-propylpropan-1-amine?
The canonical SMILES for 2-(2-ethyl-4,6-dimethylpyrimidin-5-yl)-N-propylpropan-1-amine is CCCNCC(C)c1c(C)nc(CC)nc1C.
What is the InChIKey of 2-(2-ethyl-4,6-dimethylpyrimidin-5-yl)-N-propylpropan-1-amine?
The InChIKey is LOZWEDKESBAFGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-6-8-15-9-10(3)14-11(4)16-13(7-2)17-12(14)5/h10,15H,6-9H2,1-5H3.
What are the key properties of 2-(2-ethyl-4,6-dimethylpyrimidin-5-yl)-N-propylpropan-1-amine?
2-(2-ethyl-4,6-dimethylpyrimidin-5-yl)-N-propylpropan-1-amine has a molecular weight of 235.37 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-4,6-dimethylpyrimidin-5-yl)-N-propylpropan-1-amine is sourced from PubChem (CID 62757647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).