(4-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-(2,5-dimethylfuran-3-yl)methanone

C14H16N4O2 — CID 69330305

IUPAC(4-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-(2,5-dimethylfuran-3-yl)methanone
SMILESCc1cc(C(=O)N2CCc3c(N)ncnc3C2)c(C)o1
InChIInChI=1S/C14H16N4O2/c1-8-5-11(9(2)20-8)14(19)18-4-3-10-12(6-18)16-7-17-13(10)15/h5,7H,3-4,6H2,1-2H3,(H2,15,16,17)
InChIKeyKBLIHUKRIGZRMG-UHFFFAOYSA-N
MW272.31 g/mol
LogP1.47
Rot. Bonds1

About (4-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-(2,5-dimethylfuran-3-yl)methanone

(4-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-(2,5-dimethylfuran-3-yl)methanone (PubChem CID 69330305) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is (4-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-(2,5-dimethylfuran-3-yl)methanone.

Molecular Properties

Compound Name(4-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-(2,5-dimethylfuran-3-yl)methanone
PubChem CID69330305
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC Name(4-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-(2,5-dimethylfuran-3-yl)methanone
SMILESCc1cc(C(=O)N2CCc3c(N)ncnc3C2)c(C)o1
InChIInChI=1S/C14H16N4O2/c1-8-5-11(9(2)20-8)14(19)18-4-3-10-12(6-18)16-7-17-13(10)15/h5,7H,3-4,6H2,1-2H3,(H2,15,16,17)
InChIKeyKBLIHUKRIGZRMG-UHFFFAOYSA-N
XLogP1.47
TPSA85.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-(2,5-dimethylfuran-3-yl)methanone?
The IUPAC name of (4-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-(2,5-dimethylfuran-3-yl)methanone (CID 69330305) is (4-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-(2,5-dimethylfuran-3-yl)methanone.
What is the SMILES notation for (4-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-(2,5-dimethylfuran-3-yl)methanone?
The canonical SMILES for (4-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-(2,5-dimethylfuran-3-yl)methanone is Cc1cc(C(=O)N2CCc3c(N)ncnc3C2)c(C)o1.
What is the InChIKey of (4-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-(2,5-dimethylfuran-3-yl)methanone?
The InChIKey is KBLIHUKRIGZRMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c1-8-5-11(9(2)20-8)14(19)18-4-3-10-12(6-18)16-7-17-13(10)15/h5,7H,3-4,6H2,1-2H3,(H2,15,16,17).
What are the key properties of (4-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-(2,5-dimethylfuran-3-yl)methanone?
(4-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-(2,5-dimethylfuran-3-yl)methanone has a molecular weight of 272.31 g/mol, XLogP of 1.47, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-(2,5-dimethylfuran-3-yl)methanone is sourced from PubChem (CID 69330305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).