2-(methoxymethyl)-5-[5-[(2S)-6-methyl-3,4-dihydro-2H-chromen-2-yl]-1,2,4-oxadiazol-3-yl]pyrimidin-4-amine

C18H19N5O3 — CID 164637578

IUPAC2-(methoxymethyl)-5-[5-[(2S)-6-methyl-3,4-dihydro-2H-chromen-2-yl]-1,2,4-oxadiazol-3-yl]pyrimidin-4-amine
SMILESCOCc1ncc(-c2noc([C@@H]3CCc4cc(C)ccc4O3)n2)c(N)n1
InChIInChI=1S/C18H19N5O3/c1-10-3-5-13-11(7-10)4-6-14(25-13)18-22-17(23-26-18)12-8-20-15(9-24-2)21-16(12)19/h3,5,7-8,14H,4,6,9H2,1-2H3,(H2,19,20,21)/t14-/m0/s1
InChIKeyAPEKEZQLTFTPAW-AWEZNQCLSA-N
MW353.38 g/mol
LogP2.63
Rot. Bonds4

About 2-(methoxymethyl)-5-[5-[(2S)-6-methyl-3,4-dihydro-2H-chromen-2-yl]-1,2,4-oxadiazol-3-yl]pyrimidin-4-amine

2-(methoxymethyl)-5-[5-[(2S)-6-methyl-3,4-dihydro-2H-chromen-2-yl]-1,2,4-oxadiazol-3-yl]pyrimidin-4-amine (PubChem CID 164637578) has the molecular formula C18H19N5O3 and a molecular weight of 353.38 g/mol. Its IUPAC name is 2-(methoxymethyl)-5-[5-[(2S)-6-methyl-3,4-dihydro-2H-chromen-2-yl]-1,2,4-oxadiazol-3-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(methoxymethyl)-5-[5-[(2S)-6-methyl-3,4-dihydro-2H-chromen-2-yl]-1,2,4-oxadiazol-3-yl]pyrimidin-4-amine
PubChem CID164637578
Molecular FormulaC18H19N5O3
Molecular Weight353.38 g/mol
Exact Mass353.15
IUPAC Name2-(methoxymethyl)-5-[5-[(2S)-6-methyl-3,4-dihydro-2H-chromen-2-yl]-1,2,4-oxadiazol-3-yl]pyrimidin-4-amine
SMILESCOCc1ncc(-c2noc([C@@H]3CCc4cc(C)ccc4O3)n2)c(N)n1
InChIInChI=1S/C18H19N5O3/c1-10-3-5-13-11(7-10)4-6-14(25-13)18-22-17(23-26-18)12-8-20-15(9-24-2)21-16(12)19/h3,5,7-8,14H,4,6,9H2,1-2H3,(H2,19,20,21)/t14-/m0/s1
InChIKeyAPEKEZQLTFTPAW-AWEZNQCLSA-N
XLogP2.63
TPSA109.18 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-(methoxymethyl)-5-[5-[(2S)-6-methyl-3,4-dihydro-2H-chromen-2-yl]-1,2,4-oxadiazol-3-yl]pyrimidin-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 2-(methoxymethyl)-5-[5-[(2S)-6-methyl-3,4-dihydro-2H-chromen-2-yl]-1,2,4-oxadiazol-3-yl]pyrimidin-4-amine?
The IUPAC name of 2-(methoxymethyl)-5-[5-[(2S)-6-methyl-3,4-dihydro-2H-chromen-2-yl]-1,2,4-oxadiazol-3-yl]pyrimidin-4-amine (CID 164637578) is 2-(methoxymethyl)-5-[5-[(2S)-6-methyl-3,4-dihydro-2H-chromen-2-yl]-1,2,4-oxadiazol-3-yl]pyrimidin-4-amine.
What is the SMILES notation for 2-(methoxymethyl)-5-[5-[(2S)-6-methyl-3,4-dihydro-2H-chromen-2-yl]-1,2,4-oxadiazol-3-yl]pyrimidin-4-amine?
The canonical SMILES for 2-(methoxymethyl)-5-[5-[(2S)-6-methyl-3,4-dihydro-2H-chromen-2-yl]-1,2,4-oxadiazol-3-yl]pyrimidin-4-amine is COCc1ncc(-c2noc([C@@H]3CCc4cc(C)ccc4O3)n2)c(N)n1.
What is the InChIKey of 2-(methoxymethyl)-5-[5-[(2S)-6-methyl-3,4-dihydro-2H-chromen-2-yl]-1,2,4-oxadiazol-3-yl]pyrimidin-4-amine?
The InChIKey is APEKEZQLTFTPAW-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H19N5O3/c1-10-3-5-13-11(7-10)4-6-14(25-13)18-22-17(23-26-18)12-8-20-15(9-24-2)21-16(12)19/h3,5,7-8,14H,4,6,9H2,1-2H3,(H2,19,20,21)/t14-/m0/s1.
What are the key properties of 2-(methoxymethyl)-5-[5-[(2S)-6-methyl-3,4-dihydro-2H-chromen-2-yl]-1,2,4-oxadiazol-3-yl]pyrimidin-4-amine?
2-(methoxymethyl)-5-[5-[(2S)-6-methyl-3,4-dihydro-2H-chromen-2-yl]-1,2,4-oxadiazol-3-yl]pyrimidin-4-amine has a molecular weight of 353.38 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-5-[5-[(2S)-6-methyl-3,4-dihydro-2H-chromen-2-yl]-1,2,4-oxadiazol-3-yl]pyrimidin-4-amine is sourced from PubChem (CID 164637578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).