2-amino-4-(furan-2-yl)-8-methyl-1,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one

C11H11N5O2 — CID 137086378

IUPAC2-amino-4-(furan-2-yl)-8-methyl-1,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one
SMILESCc1cc(=O)n2c(n1)NC(N)=NC2c1ccco1
InChIInChI=1S/C11H11N5O2/c1-6-5-8(17)16-9(7-3-2-4-18-7)14-10(12)15-11(16)13-6/h2-5,9H,1H3,(H3,12,13,14,15)
InChIKeyYQSCMHKGEPHPNV-UHFFFAOYSA-N
MW245.24 g/mol
LogP0.43
Rot. Bonds1

About 2-amino-4-(furan-2-yl)-8-methyl-1,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one

2-amino-4-(furan-2-yl)-8-methyl-1,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one (PubChem CID 137086378) has the molecular formula C11H11N5O2 and a molecular weight of 245.24 g/mol. Its IUPAC name is 2-amino-4-(furan-2-yl)-8-methyl-1,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one.

Molecular Properties

Compound Name2-amino-4-(furan-2-yl)-8-methyl-1,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one
PubChem CID137086378
Molecular FormulaC11H11N5O2
Molecular Weight245.24 g/mol
Exact Mass245.09
IUPAC Name2-amino-4-(furan-2-yl)-8-methyl-1,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one
SMILESCc1cc(=O)n2c(n1)NC(N)=NC2c1ccco1
InChIInChI=1S/C11H11N5O2/c1-6-5-8(17)16-9(7-3-2-4-18-7)14-10(12)15-11(16)13-6/h2-5,9H,1H3,(H3,12,13,14,15)
InChIKeyYQSCMHKGEPHPNV-UHFFFAOYSA-N
XLogP0.43
TPSA98.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.24
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-(((Furan-2-yl)methyl)amino)-1,2-dihydropyrimidin-2-one
CID 666825
2-amino-6-(furan-2-ylmethylimino)-5,7-dihydro-3H-pyrrolo[3,2-d]pyrimidin-4-one
CID 136055858
N-(furan-2-ylmethyl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 860102
(5Z)-5-({[3-(dimethylamino)propyl]amino}methylidene)-3-(furan-2-ylmethyl)-6-hydroxypyrimidine-2,4(3H,5H)-dione
CID 1602851
(E)-N-(3-cyano-1-(furan-2-ylmethyl)-10-methyl-5-oxo-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)acetamide
CID 2043510
6-amino-1-(2-furylmethyl)pyrimidine-2,4(1H,3H)-dione
CID 833803
2-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-5,6-dimethylpyrimidin-4(3H)-one
CID 135448588
2-((furan-2-ylmethyl)amino)-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carbaldehyde
CID 1083179
Urea, 1,1-dimethyl-3-furfuryl-
CID 99195
1-(2-Furylmethyl)-2-imino-N,8-dimethyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-A:2,3-D]pyrimidine-3-carboxamide
CID 656063
N-(2-Furylmethyl)-2-imino-1-(2-methoxyethyl)-5-oxo-1,5-dihydro-2H-dipyrido[1,2-A:2,3-D]pyrimidine-3-carboxamide
CID 661238
1-Furan-2-ylmethyl-2-imino-10-oxo-1,10-dihydro-2H-1,9,10a-triaza-anthracene-3-carboxylic acid cyclohexylamide
CID 1077345

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(furan-2-yl)-8-methyl-1,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one?
The IUPAC name of 2-amino-4-(furan-2-yl)-8-methyl-1,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one (CID 137086378) is 2-amino-4-(furan-2-yl)-8-methyl-1,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one.
What is the SMILES notation for 2-amino-4-(furan-2-yl)-8-methyl-1,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one?
The canonical SMILES for 2-amino-4-(furan-2-yl)-8-methyl-1,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one is Cc1cc(=O)n2c(n1)NC(N)=NC2c1ccco1.
What is the InChIKey of 2-amino-4-(furan-2-yl)-8-methyl-1,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one?
The InChIKey is YQSCMHKGEPHPNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5O2/c1-6-5-8(17)16-9(7-3-2-4-18-7)14-10(12)15-11(16)13-6/h2-5,9H,1H3,(H3,12,13,14,15).
What are the key properties of 2-amino-4-(furan-2-yl)-8-methyl-1,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one?
2-amino-4-(furan-2-yl)-8-methyl-1,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one has a molecular weight of 245.24 g/mol, XLogP of 0.43, 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)-8-methyl-1,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one is sourced from PubChem (CID 137086378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).