6-[(5-nitrofuran-2-yl)methyl]-2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

C15H18N4O3 — CID 24908541

IUPAC6-[(5-nitrofuran-2-yl)methyl]-2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCCCc1ncc2c(n1)CCN(Cc1ccc([N+](=O)[O-])o1)C2
InChIInChI=1S/C15H18N4O3/c1-2-3-14-16-8-11-9-18(7-6-13(11)17-14)10-12-4-5-15(22-12)19(20)21/h4-5,8H,2-3,6-7,9-10H2,1H3
InChIKeyZGRXEYIHNFXCRZ-UHFFFAOYSA-N
MW302.33 g/mol
LogP2.49
Rot. Bonds5

About 6-[(5-nitrofuran-2-yl)methyl]-2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

6-[(5-nitrofuran-2-yl)methyl]-2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 24908541) has the molecular formula C15H18N4O3 and a molecular weight of 302.33 g/mol. Its IUPAC name is 6-[(5-nitrofuran-2-yl)methyl]-2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name6-[(5-nitrofuran-2-yl)methyl]-2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID24908541
Molecular FormulaC15H18N4O3
Molecular Weight302.33 g/mol
Exact Mass302.14
IUPAC Name6-[(5-nitrofuran-2-yl)methyl]-2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCCCc1ncc2c(n1)CCN(Cc1ccc([N+](=O)[O-])o1)C2
InChIInChI=1S/C15H18N4O3/c1-2-3-14-16-8-11-9-18(7-6-13(11)17-14)10-12-4-5-15(22-12)19(20)21/h4-5,8H,2-3,6-7,9-10H2,1H3
InChIKeyZGRXEYIHNFXCRZ-UHFFFAOYSA-N
XLogP2.49
TPSA85.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-[[5-(2-nitrophenyl)furan-2-yl]methyl]-2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24910659
6-[(5-nitrofuran-2-yl)methyl]-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24908540
6-[(2,6-dimethylphenyl)methyl]-2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24928995
1-[5-[(2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]thiophen-2-yl]ethanone
CID 24910974
5-methyl-3-[(2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,2-oxazole
CID 24916056
2-propyl-6-[(2,3,6-trifluorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24928197
6-[(3,4-dichlorophenyl)methyl]-2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24929961
2-methyl-6-[[5-(2-nitrophenyl)furan-2-yl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24910650
2-[(2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,3-thiazole
CID 24910029
6-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24912024
6-(2H-indazol-3-ylmethyl)-2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24914838
6-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24912003

Frequently Asked Questions

What is the IUPAC name of 6-[(5-nitrofuran-2-yl)methyl]-2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 6-[(5-nitrofuran-2-yl)methyl]-2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 24908541) is 6-[(5-nitrofuran-2-yl)methyl]-2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 6-[(5-nitrofuran-2-yl)methyl]-2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 6-[(5-nitrofuran-2-yl)methyl]-2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is CCCc1ncc2c(n1)CCN(Cc1ccc([N+](=O)[O-])o1)C2.
What is the InChIKey of 6-[(5-nitrofuran-2-yl)methyl]-2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is ZGRXEYIHNFXCRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3/c1-2-3-14-16-8-11-9-18(7-6-13(11)17-14)10-12-4-5-15(22-12)19(20)21/h4-5,8H,2-3,6-7,9-10H2,1H3.
What are the key properties of 6-[(5-nitrofuran-2-yl)methyl]-2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
6-[(5-nitrofuran-2-yl)methyl]-2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 302.33 g/mol, XLogP of 2.49, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-nitrofuran-2-yl)methyl]-2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 24908541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).