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

C13H18N4O2 — CID 126785250

IUPACN,3-dimethyl-N-(oxan-3-ylmethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
SMILESCc1noc2ncnc(N(C)CC3CCCOC3)c12
InChIInChI=1S/C13H18N4O2/c1-9-11-12(14-8-15-13(11)19-16-9)17(2)6-10-4-3-5-18-7-10/h8,10H,3-7H2,1-2H3
InChIKeyLQAKWYSZTGUTHH-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.79
Rot. Bonds3

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

N,3-dimethyl-N-(oxan-3-ylmethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine (PubChem CID 126785250) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is N,3-dimethyl-N-(oxan-3-ylmethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN,3-dimethyl-N-(oxan-3-ylmethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
PubChem CID126785250
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC NameN,3-dimethyl-N-(oxan-3-ylmethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
SMILESCc1noc2ncnc(N(C)CC3CCCOC3)c12
InChIInChI=1S/C13H18N4O2/c1-9-11-12(14-8-15-13(11)19-16-9)17(2)6-10-4-3-5-18-7-10/h8,10H,3-7H2,1-2H3
InChIKeyLQAKWYSZTGUTHH-UHFFFAOYSA-N
XLogP1.79
TPSA64.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-N-(oxan-3-ylmethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of N,3-dimethyl-N-(oxan-3-ylmethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine (CID 126785250) is N,3-dimethyl-N-(oxan-3-ylmethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for N,3-dimethyl-N-(oxan-3-ylmethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for N,3-dimethyl-N-(oxan-3-ylmethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine is Cc1noc2ncnc(N(C)CC3CCCOC3)c12.
What is the InChIKey of N,3-dimethyl-N-(oxan-3-ylmethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is LQAKWYSZTGUTHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c1-9-11-12(14-8-15-13(11)19-16-9)17(2)6-10-4-3-5-18-7-10/h8,10H,3-7H2,1-2H3.
What are the key properties of N,3-dimethyl-N-(oxan-3-ylmethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
N,3-dimethyl-N-(oxan-3-ylmethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 262.31 g/mol, XLogP of 1.79, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-N-(oxan-3-ylmethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 126785250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).