4-(imidazo[1,2-a]pyrimidin-3-ylmethyl)-2,3-dihydro-1,4-benzoxazine

C15H14N4O — CID 75508155

IUPAC4-(imidazo[1,2-a]pyrimidin-3-ylmethyl)-2,3-dihydro-1,4-benzoxazine
SMILESc1ccc2c(c1)OCCN2Cc1cnc2ncccn12
InChIInChI=1S/C15H14N4O/c1-2-5-14-13(4-1)18(8-9-20-14)11-12-10-17-15-16-6-3-7-19(12)15/h1-7,10H,8-9,11H2
InChIKeyANUONVPAFSNZAG-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.13
Rot. Bonds2

About 4-(imidazo[1,2-a]pyrimidin-3-ylmethyl)-2,3-dihydro-1,4-benzoxazine

4-(imidazo[1,2-a]pyrimidin-3-ylmethyl)-2,3-dihydro-1,4-benzoxazine (PubChem CID 75508155) has the molecular formula C15H14N4O and a molecular weight of 266.30 g/mol. Its IUPAC name is 4-(imidazo[1,2-a]pyrimidin-3-ylmethyl)-2,3-dihydro-1,4-benzoxazine.

Molecular Properties

Compound Name4-(imidazo[1,2-a]pyrimidin-3-ylmethyl)-2,3-dihydro-1,4-benzoxazine
PubChem CID75508155
Molecular FormulaC15H14N4O
Molecular Weight266.30 g/mol
Exact Mass266.12
IUPAC Name4-(imidazo[1,2-a]pyrimidin-3-ylmethyl)-2,3-dihydro-1,4-benzoxazine
SMILESc1ccc2c(c1)OCCN2Cc1cnc2ncccn12
InChIInChI=1S/C15H14N4O/c1-2-5-14-13(4-1)18(8-9-20-14)11-12-10-17-15-16-6-3-7-19(12)15/h1-7,10H,8-9,11H2
InChIKeyANUONVPAFSNZAG-UHFFFAOYSA-N
XLogP2.13
TPSA42.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(imidazo[1,2-a]pyrimidin-3-ylmethyl)-2,3-dihydro-1,4-benzoxazine?
The IUPAC name of 4-(imidazo[1,2-a]pyrimidin-3-ylmethyl)-2,3-dihydro-1,4-benzoxazine (CID 75508155) is 4-(imidazo[1,2-a]pyrimidin-3-ylmethyl)-2,3-dihydro-1,4-benzoxazine.
What is the SMILES notation for 4-(imidazo[1,2-a]pyrimidin-3-ylmethyl)-2,3-dihydro-1,4-benzoxazine?
The canonical SMILES for 4-(imidazo[1,2-a]pyrimidin-3-ylmethyl)-2,3-dihydro-1,4-benzoxazine is c1ccc2c(c1)OCCN2Cc1cnc2ncccn12.
What is the InChIKey of 4-(imidazo[1,2-a]pyrimidin-3-ylmethyl)-2,3-dihydro-1,4-benzoxazine?
The InChIKey is ANUONVPAFSNZAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O/c1-2-5-14-13(4-1)18(8-9-20-14)11-12-10-17-15-16-6-3-7-19(12)15/h1-7,10H,8-9,11H2.
What are the key properties of 4-(imidazo[1,2-a]pyrimidin-3-ylmethyl)-2,3-dihydro-1,4-benzoxazine?
4-(imidazo[1,2-a]pyrimidin-3-ylmethyl)-2,3-dihydro-1,4-benzoxazine has a molecular weight of 266.30 g/mol, XLogP of 2.13, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(imidazo[1,2-a]pyrimidin-3-ylmethyl)-2,3-dihydro-1,4-benzoxazine is sourced from PubChem (CID 75508155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).