2-amino-6-(thiophen-3-ylmethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

C12H14N4OS — CID 135861200

IUPAC2-amino-6-(thiophen-3-ylmethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESNc1nc2c(c(=O)[nH]1)CN(Cc1ccsc1)CC2
InChIInChI=1S/C12H14N4OS/c13-12-14-10-1-3-16(5-8-2-4-18-7-8)6-9(10)11(17)15-12/h2,4,7H,1,3,5-6H2,(H3,13,14,15,17)
InChIKeyUDDJEMAOXDZNKP-UHFFFAOYSA-N
MW262.34 g/mol
LogP0.97
Rot. Bonds2

About 2-amino-6-(thiophen-3-ylmethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

2-amino-6-(thiophen-3-ylmethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 135861200) has the molecular formula C12H14N4OS and a molecular weight of 262.34 g/mol. Its IUPAC name is 2-amino-6-(thiophen-3-ylmethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-amino-6-(thiophen-3-ylmethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
PubChem CID135861200
Molecular FormulaC12H14N4OS
Molecular Weight262.34 g/mol
Exact Mass262.09
IUPAC Name2-amino-6-(thiophen-3-ylmethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESNc1nc2c(c(=O)[nH]1)CN(Cc1ccsc1)CC2
InChIInChI=1S/C12H14N4OS/c13-12-14-10-1-3-16(5-8-2-4-18-7-8)6-9(10)11(17)15-12/h2,4,7H,1,3,5-6H2,(H3,13,14,15,17)
InChIKeyUDDJEMAOXDZNKP-UHFFFAOYSA-N
XLogP0.97
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.34
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-6-[(4-fluorophenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135919807
2-amino-6-[(4-tert-butylphenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135920126
2-amino-6-[(4-propylphenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135920106
2-amino-6-[(1-methylpyrazol-4-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135942507
2-amino-6-[(5-methylthiophen-2-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135861180
2-amino-6-[(4-phenoxyphenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135920066
2-amino-6-[(4-methyl-1,3-thiazol-2-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135861460
2-amino-6-[(3,5-dimethoxyphenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135918530
2-amino-6-[(2,6-dichlorophenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135917253
2-amino-6-[(2,4-dihydroxyphenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135916973
5-[(2-amino-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)methyl]furan-2-carboxylic acid
CID 135861440
2-amino-6-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135943985

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(thiophen-3-ylmethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 2-amino-6-(thiophen-3-ylmethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 135861200) is 2-amino-6-(thiophen-3-ylmethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-amino-6-(thiophen-3-ylmethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 2-amino-6-(thiophen-3-ylmethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is Nc1nc2c(c(=O)[nH]1)CN(Cc1ccsc1)CC2.
What is the InChIKey of 2-amino-6-(thiophen-3-ylmethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The InChIKey is UDDJEMAOXDZNKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4OS/c13-12-14-10-1-3-16(5-8-2-4-18-7-8)6-9(10)11(17)15-12/h2,4,7H,1,3,5-6H2,(H3,13,14,15,17).
What are the key properties of 2-amino-6-(thiophen-3-ylmethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
2-amino-6-(thiophen-3-ylmethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 262.34 g/mol, XLogP of 0.97, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(thiophen-3-ylmethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 135861200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).