N-[(2,4-dimethoxyphenyl)methyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-4-amine

C18H20N4O3 — CID 3232843

IUPACN-[(2,4-dimethoxyphenyl)methyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-4-amine
SMILESCOc1ccc(CNc2ccnc(-c3c(C)noc3C)n2)c(OC)c1
InChIInChI=1S/C18H20N4O3/c1-11-17(12(2)25-22-11)18-19-8-7-16(21-18)20-10-13-5-6-14(23-3)9-15(13)24-4/h5-9H,10H2,1-4H3,(H,19,20,21)
InChIKeyAIMHCBUYYJXOQQ-UHFFFAOYSA-N
MW340.38 g/mol
LogP3.38
Rot. Bonds6

About N-[(2,4-dimethoxyphenyl)methyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-4-amine

N-[(2,4-dimethoxyphenyl)methyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-4-amine (PubChem CID 3232843) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is N-[(2,4-dimethoxyphenyl)methyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(2,4-dimethoxyphenyl)methyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-4-amine
PubChem CID3232843
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC NameN-[(2,4-dimethoxyphenyl)methyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-4-amine
SMILESCOc1ccc(CNc2ccnc(-c3c(C)noc3C)n2)c(OC)c1
InChIInChI=1S/C18H20N4O3/c1-11-17(12(2)25-22-11)18-19-8-7-16(21-18)20-10-13-5-6-14(23-3)9-15(13)24-4/h5-9H,10H2,1-4H3,(H,19,20,21)
InChIKeyAIMHCBUYYJXOQQ-UHFFFAOYSA-N
XLogP3.38
TPSA82.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-4-amine?
The IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-4-amine (CID 3232843) is N-[(2,4-dimethoxyphenyl)methyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-4-amine.
What is the SMILES notation for N-[(2,4-dimethoxyphenyl)methyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-4-amine?
The canonical SMILES for N-[(2,4-dimethoxyphenyl)methyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-4-amine is COc1ccc(CNc2ccnc(-c3c(C)noc3C)n2)c(OC)c1.
What is the InChIKey of N-[(2,4-dimethoxyphenyl)methyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-4-amine?
The InChIKey is AIMHCBUYYJXOQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3/c1-11-17(12(2)25-22-11)18-19-8-7-16(21-18)20-10-13-5-6-14(23-3)9-15(13)24-4/h5-9H,10H2,1-4H3,(H,19,20,21).
What are the key properties of N-[(2,4-dimethoxyphenyl)methyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-4-amine?
N-[(2,4-dimethoxyphenyl)methyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-4-amine has a molecular weight of 340.38 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethoxyphenyl)methyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-4-amine is sourced from PubChem (CID 3232843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).