N,2-dimethyl-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)-[1,3]oxazolo[5,4-d]pyrimidin-7-amine

C15H17N5O2 — CID 72867308

IUPACN,2-dimethyl-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)-[1,3]oxazolo[5,4-d]pyrimidin-7-amine
SMILESCc1nc2c(N(C)Cc3noc4c3CCCC4)ncnc2o1
InChIInChI=1S/C15H17N5O2/c1-9-18-13-14(16-8-17-15(13)21-9)20(2)7-11-10-5-3-4-6-12(10)22-19-11/h8H,3-7H2,1-2H3
InChIKeyQEAVULIDZAFKOE-UHFFFAOYSA-N
MW299.33 g/mol
LogP2.43
Rot. Bonds3

About N,2-dimethyl-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)-[1,3]oxazolo[5,4-d]pyrimidin-7-amine

N,2-dimethyl-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)-[1,3]oxazolo[5,4-d]pyrimidin-7-amine (PubChem CID 72867308) has the molecular formula C15H17N5O2 and a molecular weight of 299.33 g/mol. Its IUPAC name is N,2-dimethyl-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)-[1,3]oxazolo[5,4-d]pyrimidin-7-amine.

Molecular Properties

Compound NameN,2-dimethyl-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)-[1,3]oxazolo[5,4-d]pyrimidin-7-amine
PubChem CID72867308
Molecular FormulaC15H17N5O2
Molecular Weight299.33 g/mol
Exact Mass299.14
IUPAC NameN,2-dimethyl-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)-[1,3]oxazolo[5,4-d]pyrimidin-7-amine
SMILESCc1nc2c(N(C)Cc3noc4c3CCCC4)ncnc2o1
InChIInChI=1S/C15H17N5O2/c1-9-18-13-14(16-8-17-15(13)21-9)20(2)7-11-10-5-3-4-6-12(10)22-19-11/h8H,3-7H2,1-2H3
InChIKeyQEAVULIDZAFKOE-UHFFFAOYSA-N
XLogP2.43
TPSA81.08 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)-[1,3]oxazolo[5,4-d]pyrimidin-7-amine?
The IUPAC name of N,2-dimethyl-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)-[1,3]oxazolo[5,4-d]pyrimidin-7-amine (CID 72867308) is N,2-dimethyl-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)-[1,3]oxazolo[5,4-d]pyrimidin-7-amine.
What is the SMILES notation for N,2-dimethyl-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)-[1,3]oxazolo[5,4-d]pyrimidin-7-amine?
The canonical SMILES for N,2-dimethyl-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)-[1,3]oxazolo[5,4-d]pyrimidin-7-amine is Cc1nc2c(N(C)Cc3noc4c3CCCC4)ncnc2o1.
What is the InChIKey of N,2-dimethyl-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)-[1,3]oxazolo[5,4-d]pyrimidin-7-amine?
The InChIKey is QEAVULIDZAFKOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O2/c1-9-18-13-14(16-8-17-15(13)21-9)20(2)7-11-10-5-3-4-6-12(10)22-19-11/h8H,3-7H2,1-2H3.
What are the key properties of N,2-dimethyl-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)-[1,3]oxazolo[5,4-d]pyrimidin-7-amine?
N,2-dimethyl-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)-[1,3]oxazolo[5,4-d]pyrimidin-7-amine has a molecular weight of 299.33 g/mol, XLogP of 2.43, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)-[1,3]oxazolo[5,4-d]pyrimidin-7-amine is sourced from PubChem (CID 72867308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).