2-[(2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,3-benzoxazole

C16H16N4O — CID 24913317

IUPAC2-[(2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,3-benzoxazole
SMILESCc1ncc2c(n1)CCN(Cc1nc3ccccc3o1)C2
InChIInChI=1S/C16H16N4O/c1-11-17-8-12-9-20(7-6-13(12)18-11)10-16-19-14-4-2-3-5-15(14)21-16/h2-5,8H,6-7,9-10H2,1H3
InChIKeyFUNKJRGEEJWQPO-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.48
Rot. Bonds2

About 2-[(2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,3-benzoxazole

2-[(2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,3-benzoxazole (PubChem CID 24913317) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is 2-[(2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-[(2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,3-benzoxazole
PubChem CID24913317
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC Name2-[(2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,3-benzoxazole
SMILESCc1ncc2c(n1)CCN(Cc1nc3ccccc3o1)C2
InChIInChI=1S/C16H16N4O/c1-11-17-8-12-9-20(7-6-13(12)18-11)10-16-19-14-4-2-3-5-15(14)21-16/h2-5,8H,6-7,9-10H2,1H3
InChIKeyFUNKJRGEEJWQPO-UHFFFAOYSA-N
XLogP2.48
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,3-benzoxazole?
The IUPAC name of 2-[(2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,3-benzoxazole (CID 24913317) is 2-[(2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,3-benzoxazole.
What is the SMILES notation for 2-[(2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,3-benzoxazole?
The canonical SMILES for 2-[(2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,3-benzoxazole is Cc1ncc2c(n1)CCN(Cc1nc3ccccc3o1)C2.
What is the InChIKey of 2-[(2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,3-benzoxazole?
The InChIKey is FUNKJRGEEJWQPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c1-11-17-8-12-9-20(7-6-13(12)18-11)10-16-19-14-4-2-3-5-15(14)21-16/h2-5,8H,6-7,9-10H2,1H3.
What are the key properties of 2-[(2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,3-benzoxazole?
2-[(2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,3-benzoxazole has a molecular weight of 280.33 g/mol, XLogP of 2.48, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,3-benzoxazole is sourced from PubChem (CID 24913317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).