N-[2-(2-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-2-oxoethyl]-1,3-thiazole-4-carboxamide

C13H14N6O2S — CID 155952735

IUPACN-[2-(2-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-2-oxoethyl]-1,3-thiazole-4-carboxamide
SMILESNc1ncc2c(n1)CN(C(=O)CNC(=O)c1cscn1)CC2
InChIInChI=1S/C13H14N6O2S/c14-13-16-3-8-1-2-19(5-9(8)18-13)11(20)4-15-12(21)10-6-22-7-17-10/h3,6-7H,1-2,4-5H2,(H,15,21)(H2,14,16,18)
InChIKeyBKVRCGPXYAHVOR-UHFFFAOYSA-N
MW318.36 g/mol
LogP-0.17
Rot. Bonds3

About N-[2-(2-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-2-oxoethyl]-1,3-thiazole-4-carboxamide

N-[2-(2-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-2-oxoethyl]-1,3-thiazole-4-carboxamide (PubChem CID 155952735) has the molecular formula C13H14N6O2S and a molecular weight of 318.36 g/mol. Its IUPAC name is N-[2-(2-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-2-oxoethyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-2-oxoethyl]-1,3-thiazole-4-carboxamide
PubChem CID155952735
Molecular FormulaC13H14N6O2S
Molecular Weight318.36 g/mol
Exact Mass318.09
IUPAC NameN-[2-(2-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-2-oxoethyl]-1,3-thiazole-4-carboxamide
SMILESNc1ncc2c(n1)CN(C(=O)CNC(=O)c1cscn1)CC2
InChIInChI=1S/C13H14N6O2S/c14-13-16-3-8-1-2-19(5-9(8)18-13)11(20)4-15-12(21)10-6-22-7-17-10/h3,6-7H,1-2,4-5H2,(H,15,21)(H2,14,16,18)
InChIKeyBKVRCGPXYAHVOR-UHFFFAOYSA-N
XLogP-0.17
TPSA114.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.36
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-2-oxoethyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[2-(2-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-2-oxoethyl]-1,3-thiazole-4-carboxamide (CID 155952735) is N-[2-(2-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-2-oxoethyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[2-(2-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-2-oxoethyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[2-(2-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-2-oxoethyl]-1,3-thiazole-4-carboxamide is Nc1ncc2c(n1)CN(C(=O)CNC(=O)c1cscn1)CC2.
What is the InChIKey of N-[2-(2-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-2-oxoethyl]-1,3-thiazole-4-carboxamide?
The InChIKey is BKVRCGPXYAHVOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N6O2S/c14-13-16-3-8-1-2-19(5-9(8)18-13)11(20)4-15-12(21)10-6-22-7-17-10/h3,6-7H,1-2,4-5H2,(H,15,21)(H2,14,16,18).
What are the key properties of N-[2-(2-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-2-oxoethyl]-1,3-thiazole-4-carboxamide?
N-[2-(2-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-2-oxoethyl]-1,3-thiazole-4-carboxamide has a molecular weight of 318.36 g/mol, XLogP of -0.17, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-2-oxoethyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 155952735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).