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

C21H26N4O3 — CID 167890846

IUPACN-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-6-[(4-methoxyphenyl)methoxy]-2-methylpyrimidin-4-amine
SMILESCCC(Nc1cc(OCc2ccc(OC)cc2)nc(C)n1)c1c(C)noc1C
InChIInChI=1S/C21H26N4O3/c1-6-18(21-13(2)25-28-14(21)3)24-19-11-20(23-15(4)22-19)27-12-16-7-9-17(26-5)10-8-16/h7-11,18H,6,12H2,1-5H3,(H,22,23,24)
InChIKeyUVJOHEJTUHRNCR-UHFFFAOYSA-N
MW382.46 g/mol
LogP4.54
Rot. Bonds8

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

N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-6-[(4-methoxyphenyl)methoxy]-2-methylpyrimidin-4-amine (PubChem CID 167890846) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-6-[(4-methoxyphenyl)methoxy]-2-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-6-[(4-methoxyphenyl)methoxy]-2-methylpyrimidin-4-amine
PubChem CID167890846
Molecular FormulaC21H26N4O3
Molecular Weight382.46 g/mol
Exact Mass382.20
IUPAC NameN-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-6-[(4-methoxyphenyl)methoxy]-2-methylpyrimidin-4-amine
SMILESCCC(Nc1cc(OCc2ccc(OC)cc2)nc(C)n1)c1c(C)noc1C
InChIInChI=1S/C21H26N4O3/c1-6-18(21-13(2)25-28-14(21)3)24-19-11-20(23-15(4)22-19)27-12-16-7-9-17(26-5)10-8-16/h7-11,18H,6,12H2,1-5H3,(H,22,23,24)
InChIKeyUVJOHEJTUHRNCR-UHFFFAOYSA-N
XLogP4.54
TPSA82.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-6-[(4-methoxyphenyl)methoxy]-2-methylpyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-6-[(4-methoxyphenyl)methoxy]-2-methylpyrimidin-4-amine?
The IUPAC name of N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-6-[(4-methoxyphenyl)methoxy]-2-methylpyrimidin-4-amine (CID 167890846) is N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-6-[(4-methoxyphenyl)methoxy]-2-methylpyrimidin-4-amine.
What is the SMILES notation for N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-6-[(4-methoxyphenyl)methoxy]-2-methylpyrimidin-4-amine?
The canonical SMILES for N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-6-[(4-methoxyphenyl)methoxy]-2-methylpyrimidin-4-amine is CCC(Nc1cc(OCc2ccc(OC)cc2)nc(C)n1)c1c(C)noc1C.
What is the InChIKey of N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-6-[(4-methoxyphenyl)methoxy]-2-methylpyrimidin-4-amine?
The InChIKey is UVJOHEJTUHRNCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3/c1-6-18(21-13(2)25-28-14(21)3)24-19-11-20(23-15(4)22-19)27-12-16-7-9-17(26-5)10-8-16/h7-11,18H,6,12H2,1-5H3,(H,22,23,24).
What are the key properties of N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-6-[(4-methoxyphenyl)methoxy]-2-methylpyrimidin-4-amine?
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-6-[(4-methoxyphenyl)methoxy]-2-methylpyrimidin-4-amine has a molecular weight of 382.46 g/mol, XLogP of 4.54, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-6-[(4-methoxyphenyl)methoxy]-2-methylpyrimidin-4-amine is sourced from PubChem (CID 167890846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).