N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-6-ethyl-2-methylpyrimidin-4-amine

C15H22N4O — CID 133462111

IUPACN-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-6-ethyl-2-methylpyrimidin-4-amine
SMILESCCc1cc(NC(CC)c2c(C)noc2C)nc(C)n1
InChIInChI=1S/C15H22N4O/c1-6-12-8-14(17-11(5)16-12)18-13(7-2)15-9(3)19-20-10(15)4/h8,13H,6-7H2,1-5H3,(H,16,17,18)
InChIKeyPHGGCTIIMRJVTR-UHFFFAOYSA-N
MW274.37 g/mol
LogP3.52
Rot. Bonds5

About N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-6-ethyl-2-methylpyrimidin-4-amine

N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-6-ethyl-2-methylpyrimidin-4-amine (PubChem CID 133462111) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-6-ethyl-2-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-6-ethyl-2-methylpyrimidin-4-amine
PubChem CID133462111
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC NameN-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-6-ethyl-2-methylpyrimidin-4-amine
SMILESCCc1cc(NC(CC)c2c(C)noc2C)nc(C)n1
InChIInChI=1S/C15H22N4O/c1-6-12-8-14(17-11(5)16-12)18-13(7-2)15-9(3)19-20-10(15)4/h8,13H,6-7H2,1-5H3,(H,16,17,18)
InChIKeyPHGGCTIIMRJVTR-UHFFFAOYSA-N
XLogP3.52
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-6-[(4-methoxyphenyl)methoxy]-2-methylpyrimidin-4-amine
CID 167890846
4-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 80941304
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]pentan-3-amine
CID 115896745
N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-6-ethyl-2-methylpyrimidin-4-amine
CID 133461765
N,6-diethyl-2-methylpyrimidin-4-amine
CID 62191281
(2S)-2-[(6-ethyl-2-methylpyrimidin-4-yl)amino]-2-phenylethanol
CID 133460882
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-methylbutan-1-amine
CID 115888090
1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[1-(5-methylfuran-2-yl)ethyl]propan-1-amine
CID 75441563
(2S,3S)-2-[(6-ethyl-2-methylpyrimidin-4-yl)amino]-3-methylpentanoic acid
CID 122050450
2-[(6-ethyl-2-methylpyrimidin-4-yl)amino]-3-methoxypropanoic acid
CID 81078586
2-N-(6-ethyl-2-methylpyrimidin-4-yl)-3,3-dimethylbutane-1,2-diamine
CID 114208177
7-[[1-(3,5-dimethyl-1,2-oxazol-4-yl)propylamino]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 86789516

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-6-ethyl-2-methylpyrimidin-4-amine?
The IUPAC name of N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-6-ethyl-2-methylpyrimidin-4-amine (CID 133462111) is N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-6-ethyl-2-methylpyrimidin-4-amine.
What is the SMILES notation for N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-6-ethyl-2-methylpyrimidin-4-amine?
The canonical SMILES for N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-6-ethyl-2-methylpyrimidin-4-amine is CCc1cc(NC(CC)c2c(C)noc2C)nc(C)n1.
What is the InChIKey of N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-6-ethyl-2-methylpyrimidin-4-amine?
The InChIKey is PHGGCTIIMRJVTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-6-12-8-14(17-11(5)16-12)18-13(7-2)15-9(3)19-20-10(15)4/h8,13H,6-7H2,1-5H3,(H,16,17,18).
What are the key properties of N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-6-ethyl-2-methylpyrimidin-4-amine?
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-6-ethyl-2-methylpyrimidin-4-amine has a molecular weight of 274.37 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-6-ethyl-2-methylpyrimidin-4-amine is sourced from PubChem (CID 133462111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).