3-(4-methylphenyl)-N-(oxolan-2-ylmethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine

C17H18N4O2 — CID 50806151

IUPAC3-(4-methylphenyl)-N-(oxolan-2-ylmethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
SMILESCc1ccc(-c2noc3ncnc(NCC4CCCO4)c23)cc1
InChIInChI=1S/C17H18N4O2/c1-11-4-6-12(7-5-11)15-14-16(18-9-13-3-2-8-22-13)19-10-20-17(14)23-21-15/h4-7,10,13H,2-3,8-9H2,1H3,(H,18,19,20)
InChIKeyJWIYGTVCOBRDRF-UHFFFAOYSA-N
MW310.36 g/mol
LogP3.18
Rot. Bonds4

About 3-(4-methylphenyl)-N-(oxolan-2-ylmethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine

3-(4-methylphenyl)-N-(oxolan-2-ylmethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine (PubChem CID 50806151) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is 3-(4-methylphenyl)-N-(oxolan-2-ylmethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name3-(4-methylphenyl)-N-(oxolan-2-ylmethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
PubChem CID50806151
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC Name3-(4-methylphenyl)-N-(oxolan-2-ylmethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
SMILESCc1ccc(-c2noc3ncnc(NCC4CCCO4)c23)cc1
InChIInChI=1S/C17H18N4O2/c1-11-4-6-12(7-5-11)15-14-16(18-9-13-3-2-8-22-13)19-10-20-17(14)23-21-15/h4-7,10,13H,2-3,8-9H2,1H3,(H,18,19,20)
InChIKeyJWIYGTVCOBRDRF-UHFFFAOYSA-N
XLogP3.18
TPSA73.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 20922530
N-(oxolan-2-ylmethyl)-5,6-diphenylfuro[2,3-d]pyrimidin-4-amine
CID 58603315
6-chloro-5-methyl-N-(oxolan-2-ylmethyl)pyrimidin-4-amine
CID 63729583
N-(furan-2-ylmethyl)-3-(4-methylphenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 46359688
4-[4-[[(2S)-oxolan-2-yl]methylamino]-5-phenylfuro[2,3-d]pyrimidin-6-yl]benzaldehyde
CID 11509547
6-N-methyl-4-N-(oxolan-2-ylmethyl)pyrimidine-4,5,6-triamine
CID 22542939
5-methyl-N-(oxolan-2-ylmethyl)pyridin-2-amine
CID 43104324
5-(4-fluorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]thieno[2,3-d]pyrimidin-4-amine
CID 9211901
5-(4-chlorophenyl)-N-(oxolan-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 2791477
N-[[(2S)-oxolan-2-yl]methyl]-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 733188
3-methyl-N-(oxolan-2-ylmethyl)pyridin-2-amine
CID 62254757
5-ethyl-4-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine
CID 80772495

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-N-(oxolan-2-ylmethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of 3-(4-methylphenyl)-N-(oxolan-2-ylmethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine (CID 50806151) is 3-(4-methylphenyl)-N-(oxolan-2-ylmethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for 3-(4-methylphenyl)-N-(oxolan-2-ylmethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for 3-(4-methylphenyl)-N-(oxolan-2-ylmethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine is Cc1ccc(-c2noc3ncnc(NCC4CCCO4)c23)cc1.
What is the InChIKey of 3-(4-methylphenyl)-N-(oxolan-2-ylmethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is JWIYGTVCOBRDRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-11-4-6-12(7-5-11)15-14-16(18-9-13-3-2-8-22-13)19-10-20-17(14)23-21-15/h4-7,10,13H,2-3,8-9H2,1H3,(H,18,19,20).
What are the key properties of 3-(4-methylphenyl)-N-(oxolan-2-ylmethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
3-(4-methylphenyl)-N-(oxolan-2-ylmethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 310.36 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-N-(oxolan-2-ylmethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 50806151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).