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

C15H16N4O2S — CID 24908819

IUPAC2-cyclopropyl-6-[(5-nitrothiophen-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESO=[N+]([O-])c1ccc(CN2CCc3nc(C4CC4)ncc3C2)s1
InChIInChI=1S/C15H16N4O2S/c20-19(21)14-4-3-12(22-14)9-18-6-5-13-11(8-18)7-16-15(17-13)10-1-2-10/h3-4,7,10H,1-2,5-6,8-9H2
InChIKeyHRXRQPPPVLXVPF-UHFFFAOYSA-N
MW316.39 g/mol
LogP2.88
Rot. Bonds4

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

2-cyclopropyl-6-[(5-nitrothiophen-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 24908819) has the molecular formula C15H16N4O2S and a molecular weight of 316.39 g/mol. Its IUPAC name is 2-cyclopropyl-6-[(5-nitrothiophen-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name2-cyclopropyl-6-[(5-nitrothiophen-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID24908819
Molecular FormulaC15H16N4O2S
Molecular Weight316.39 g/mol
Exact Mass316.10
IUPAC Name2-cyclopropyl-6-[(5-nitrothiophen-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESO=[N+]([O-])c1ccc(CN2CCc3nc(C4CC4)ncc3C2)s1
InChIInChI=1S/C15H16N4O2S/c20-19(21)14-4-3-12(22-14)9-18-6-5-13-11(8-18)7-16-15(17-13)10-1-2-10/h3-4,7,10H,1-2,5-6,8-9H2
InChIKeyHRXRQPPPVLXVPF-UHFFFAOYSA-N
XLogP2.88
TPSA72.16 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.39
LogP ≤ 52.88
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'}

Analyze 2-cyclopropyl-6-[(5-nitrothiophen-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-5-[(2-cyclopropyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,3-thiazole
CID 24911483
2-cyclopropyl-6-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24915578
6-[(2-chloro-5-nitrophenyl)methyl]-2-cyclohexyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24929213
2-cyclopropyl-6-[(2,6-difluorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24928937
2-cyclohexyl-6-[[6-(3-nitrophenyl)-2-pyridinyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24915497
3-[(2-cyclopropyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-6-fluoro-8-nitrochromen-4-one
CID 24913037
2-cyclohexyl-6-[(2-methoxy-5-nitrophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24929801
4-[(2-cyclopropyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-2,5-dimethyl-1,3-oxazole
CID 24913625
2-cyclopropyl-6-[(2,5-dimethylphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24928853
2-cyclopropyl-6-[(1-methylpyrazol-3-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24913373
3-[(2-cyclopropyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]benzene-1,2-diol
CID 24928286
2-cyclopropyl-6-[(3,4-dimethylphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24930113

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-[(5-nitrothiophen-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 2-cyclopropyl-6-[(5-nitrothiophen-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 24908819) is 2-cyclopropyl-6-[(5-nitrothiophen-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 2-cyclopropyl-6-[(5-nitrothiophen-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 2-cyclopropyl-6-[(5-nitrothiophen-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is O=[N+]([O-])c1ccc(CN2CCc3nc(C4CC4)ncc3C2)s1.
What is the InChIKey of 2-cyclopropyl-6-[(5-nitrothiophen-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is HRXRQPPPVLXVPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2S/c20-19(21)14-4-3-12(22-14)9-18-6-5-13-11(8-18)7-16-15(17-13)10-1-2-10/h3-4,7,10H,1-2,5-6,8-9H2.
What are the key properties of 2-cyclopropyl-6-[(5-nitrothiophen-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
2-cyclopropyl-6-[(5-nitrothiophen-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 316.39 g/mol, XLogP of 2.88, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-[(5-nitrothiophen-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 24908819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).