2-amino-4-(furan-2-yl)-1,4-dihydro-[1,3,5]triazino[2,1-b]quinazolin-6-one

C14H11N5O2 — CID 135823116

IUPAC2-amino-4-(furan-2-yl)-1,4-dihydro-[1,3,5]triazino[2,1-b]quinazolin-6-one
SMILESNC1=NC(c2ccco2)n2c(nc3ccccc3c2=O)N1
InChIInChI=1S/C14H11N5O2/c15-13-17-11(10-6-3-7-21-10)19-12(20)8-4-1-2-5-9(8)16-14(19)18-13/h1-7,11H,(H3,15,16,17,18)
InChIKeyBBMSCSRVWWCBEK-UHFFFAOYSA-N
MW281.28 g/mol
LogP1.28
Rot. Bonds1

About 2-amino-4-(furan-2-yl)-1,4-dihydro-[1,3,5]triazino[2,1-b]quinazolin-6-one

2-amino-4-(furan-2-yl)-1,4-dihydro-[1,3,5]triazino[2,1-b]quinazolin-6-one (PubChem CID 135823116) has the molecular formula C14H11N5O2 and a molecular weight of 281.28 g/mol. Its IUPAC name is 2-amino-4-(furan-2-yl)-1,4-dihydro-[1,3,5]triazino[2,1-b]quinazolin-6-one.

Molecular Properties

Compound Name2-amino-4-(furan-2-yl)-1,4-dihydro-[1,3,5]triazino[2,1-b]quinazolin-6-one
PubChem CID135823116
Molecular FormulaC14H11N5O2
Molecular Weight281.28 g/mol
Exact Mass281.09
IUPAC Name2-amino-4-(furan-2-yl)-1,4-dihydro-[1,3,5]triazino[2,1-b]quinazolin-6-one
SMILESNC1=NC(c2ccco2)n2c(nc3ccccc3c2=O)N1
InChIInChI=1S/C14H11N5O2/c15-13-17-11(10-6-3-7-21-10)19-12(20)8-4-1-2-5-9(8)16-14(19)18-13/h1-7,11H,(H3,15,16,17,18)
InChIKeyBBMSCSRVWWCBEK-UHFFFAOYSA-N
XLogP1.28
TPSA98.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.28
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-amino-4-(furan-2-yl)-1,4-dihydro-[1,3,5]triazino[2,1-b]quinazolin-6-one with MolForge

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Related Compounds

(4S)-4-(furan-2-yl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine
CID 947229
4-(1H-indol-3-yl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine
CID 4874723
(4S)-4-(5-nitrofuran-2-yl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine
CID 136806321
(4S)-2-amino-4-(3-bromophenyl)-1,4-dihydro-[1,3,5]triazino[2,1-b]quinazolin-3-ium-6-one
CID 135591565
(4R)-2-amino-4-(3-bromophenyl)-1,4-dihydro-[1,3,5]triazino[2,1-b]quinazolin-3-ium-6-one
CID 135591567
ethyl (3S,4R)-4-(furan-2-yl)-2-oxo-3,4-dihydro-1H-pyrimido[1,2-a]benzimidazole-3-carboxylate
CID 135906188
3-amino-1-pyridin-4-yl-1,4-dihydro-[1,3,5]triazino[1,2-a]quinazolin-6-one
CID 17337127
3-amino-1-(2-hydroxyphenyl)-1,4-dihydro-[1,3,5]triazino[1,2-a]quinazolin-6-one
CID 17337122
3,12-bis(furan-2-yl)-3,4,5,12-tetrahydro-2H-benzimidazolo[2,1-b]quinazolin-1-one
CID 4889231
(4S)-4-(2-chlorophenyl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine
CID 941141
(4R)-4-(4-chlorophenyl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine
CID 901239
4-naphthalen-2-yl-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine
CID 135843390

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(furan-2-yl)-1,4-dihydro-[1,3,5]triazino[2,1-b]quinazolin-6-one?
The IUPAC name of 2-amino-4-(furan-2-yl)-1,4-dihydro-[1,3,5]triazino[2,1-b]quinazolin-6-one (CID 135823116) is 2-amino-4-(furan-2-yl)-1,4-dihydro-[1,3,5]triazino[2,1-b]quinazolin-6-one.
What is the SMILES notation for 2-amino-4-(furan-2-yl)-1,4-dihydro-[1,3,5]triazino[2,1-b]quinazolin-6-one?
The canonical SMILES for 2-amino-4-(furan-2-yl)-1,4-dihydro-[1,3,5]triazino[2,1-b]quinazolin-6-one is NC1=NC(c2ccco2)n2c(nc3ccccc3c2=O)N1.
What is the InChIKey of 2-amino-4-(furan-2-yl)-1,4-dihydro-[1,3,5]triazino[2,1-b]quinazolin-6-one?
The InChIKey is BBMSCSRVWWCBEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N5O2/c15-13-17-11(10-6-3-7-21-10)19-12(20)8-4-1-2-5-9(8)16-14(19)18-13/h1-7,11H,(H3,15,16,17,18).
What are the key properties of 2-amino-4-(furan-2-yl)-1,4-dihydro-[1,3,5]triazino[2,1-b]quinazolin-6-one?
2-amino-4-(furan-2-yl)-1,4-dihydro-[1,3,5]triazino[2,1-b]quinazolin-6-one has a molecular weight of 281.28 g/mol, XLogP of 1.28, 1 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(furan-2-yl)-1,4-dihydro-[1,3,5]triazino[2,1-b]quinazolin-6-one is sourced from PubChem (CID 135823116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).