2-amino-6-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

C16H17N5O2S — CID 135947498

IUPAC2-amino-6-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCc1oc(-c2cccs2)nc1CN1CCc2nc(N)[nH]c(=O)c2C1
InChIInChI=1S/C16H17N5O2S/c1-9-12(18-15(23-9)13-3-2-6-24-13)8-21-5-4-11-10(7-21)14(22)20-16(17)19-11/h2-3,6H,4-5,7-8H2,1H3,(H3,17,19,20,22)
InChIKeySOTANHNADIFJGG-UHFFFAOYSA-N
MW343.41 g/mol
LogP1.94
Rot. Bonds3

About 2-amino-6-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

2-amino-6-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 135947498) has the molecular formula C16H17N5O2S and a molecular weight of 343.41 g/mol. Its IUPAC name is 2-amino-6-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-amino-6-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
PubChem CID135947498
Molecular FormulaC16H17N5O2S
Molecular Weight343.41 g/mol
Exact Mass343.11
IUPAC Name2-amino-6-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCc1oc(-c2cccs2)nc1CN1CCc2nc(N)[nH]c(=O)c2C1
InChIInChI=1S/C16H17N5O2S/c1-9-12(18-15(23-9)13-3-2-6-24-13)8-21-5-4-11-10(7-21)14(22)20-16(17)19-11/h2-3,6H,4-5,7-8H2,1H3,(H3,17,19,20,22)
InChIKeySOTANHNADIFJGG-UHFFFAOYSA-N
XLogP1.94
TPSA101.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-amino-6-[(5-thiophen-2-ylthiophen-2-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135861797
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-methyl-1,3-thiazol-2-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135861460
6-[(2,6-dimethylphenyl)methyl]-2-thiophen-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135917365
6-[(5-methyl-3-pyridinyl)methyl]-2-thiophen-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135947850
6-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-2-pyrimidin-5-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135916319
2-amino-6-(thiophen-3-ylmethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135861200
6-[[5-(4-methylphenyl)thiophen-2-yl]methyl]-2-thiophen-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135943258
(3S)-1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]pyrrolidin-3-amine
CID 81491549
2-amino-6-[(2,6-dichlorophenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135917253
5-methyl-4-[(3-methylpiperazin-1-yl)methyl]-2-thiophen-2-yl-1,3-oxazole
CID 65448292
2-amino-6-[(4-fluorophenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135919807

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 2-amino-6-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 135947498) is 2-amino-6-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-amino-6-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 2-amino-6-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is Cc1oc(-c2cccs2)nc1CN1CCc2nc(N)[nH]c(=O)c2C1.
What is the InChIKey of 2-amino-6-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The InChIKey is SOTANHNADIFJGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O2S/c1-9-12(18-15(23-9)13-3-2-6-24-13)8-21-5-4-11-10(7-21)14(22)20-16(17)19-11/h2-3,6H,4-5,7-8H2,1H3,(H3,17,19,20,22).
What are the key properties of 2-amino-6-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
2-amino-6-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 343.41 g/mol, XLogP of 1.94, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 135947498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).