6-amino-4-(furan-2-yl)-2-sulfanylidene-1,4-dihydropyrimidine-3,5-dicarbonitrile

C10H7N5OS — CID 142656855

IUPAC6-amino-4-(furan-2-yl)-2-sulfanylidene-1,4-dihydropyrimidine-3,5-dicarbonitrile
SMILESN#CC1=C(N)NC(=S)N(C#N)C1c1ccco1
InChIInChI=1S/C10H7N5OS/c11-4-6-8(7-2-1-3-16-7)15(5-12)10(17)14-9(6)13/h1-3,8H,13H2,(H,14,17)
InChIKeyYOHPGLYXOOOTMM-UHFFFAOYSA-N
MW245.27 g/mol
LogP0.69
Rot. Bonds1

About 6-amino-4-(furan-2-yl)-2-sulfanylidene-1,4-dihydropyrimidine-3,5-dicarbonitrile

6-amino-4-(furan-2-yl)-2-sulfanylidene-1,4-dihydropyrimidine-3,5-dicarbonitrile (PubChem CID 142656855) has the molecular formula C10H7N5OS and a molecular weight of 245.27 g/mol. Its IUPAC name is 6-amino-4-(furan-2-yl)-2-sulfanylidene-1,4-dihydropyrimidine-3,5-dicarbonitrile.

Molecular Properties

Compound Name6-amino-4-(furan-2-yl)-2-sulfanylidene-1,4-dihydropyrimidine-3,5-dicarbonitrile
PubChem CID142656855
Molecular FormulaC10H7N5OS
Molecular Weight245.27 g/mol
Exact Mass245.04
IUPAC Name6-amino-4-(furan-2-yl)-2-sulfanylidene-1,4-dihydropyrimidine-3,5-dicarbonitrile
SMILESN#CC1=C(N)NC(=S)N(C#N)C1c1ccco1
InChIInChI=1S/C10H7N5OS/c11-4-6-8(7-2-1-3-16-7)15(5-12)10(17)14-9(6)13/h1-3,8H,13H2,(H,14,17)
InChIKeyYOHPGLYXOOOTMM-UHFFFAOYSA-N
XLogP0.69
TPSA102.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.27
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 6-amino-4-(furan-2-yl)-2-sulfanylidene-1,4-dihydropyrimidine-3,5-dicarbonitrile 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

CID 2748280
CID 2748280
CID 2725444
CID 2725444
CID 46227904
CID 46227904
CID 3123319
CID 3123319
CID 2748282
CID 2748282
CID 7052992
CID 7052992
CID 2210389
CID 2210389
CID 1967060
CID 1967060
CID 2067940
CID 2067940
CID 2748281
CID 2748281
CID 7052991
CID 7052991
CID 44244582
CID 44244582

Frequently Asked Questions

What is the IUPAC name of 6-amino-4-(furan-2-yl)-2-sulfanylidene-1,4-dihydropyrimidine-3,5-dicarbonitrile?
The IUPAC name of 6-amino-4-(furan-2-yl)-2-sulfanylidene-1,4-dihydropyrimidine-3,5-dicarbonitrile (CID 142656855) is 6-amino-4-(furan-2-yl)-2-sulfanylidene-1,4-dihydropyrimidine-3,5-dicarbonitrile.
What is the SMILES notation for 6-amino-4-(furan-2-yl)-2-sulfanylidene-1,4-dihydropyrimidine-3,5-dicarbonitrile?
The canonical SMILES for 6-amino-4-(furan-2-yl)-2-sulfanylidene-1,4-dihydropyrimidine-3,5-dicarbonitrile is N#CC1=C(N)NC(=S)N(C#N)C1c1ccco1.
What is the InChIKey of 6-amino-4-(furan-2-yl)-2-sulfanylidene-1,4-dihydropyrimidine-3,5-dicarbonitrile?
The InChIKey is YOHPGLYXOOOTMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N5OS/c11-4-6-8(7-2-1-3-16-7)15(5-12)10(17)14-9(6)13/h1-3,8H,13H2,(H,14,17).
What are the key properties of 6-amino-4-(furan-2-yl)-2-sulfanylidene-1,4-dihydropyrimidine-3,5-dicarbonitrile?
6-amino-4-(furan-2-yl)-2-sulfanylidene-1,4-dihydropyrimidine-3,5-dicarbonitrile has a molecular weight of 245.27 g/mol, XLogP of 0.69, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-4-(furan-2-yl)-2-sulfanylidene-1,4-dihydropyrimidine-3,5-dicarbonitrile is sourced from PubChem (CID 142656855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).