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

C14H12N6S — CID 121455939

IUPAC2-(2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-1,3-thiazole
SMILESc1cnc(-c2ncc3c(n2)CCN(c2nccs2)C3)nc1
InChIInChI=1S/C14H12N6S/c1-3-15-12(16-4-1)13-18-8-10-9-20(6-2-11(10)19-13)14-17-5-7-21-14/h1,3-5,7-8H,2,6,9H2
InChIKeyYNUYPSZNXMXFHD-UHFFFAOYSA-N
MW296.36 g/mol
LogP1.95
Rot. Bonds2

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

2-(2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-1,3-thiazole (PubChem CID 121455939) has the molecular formula C14H12N6S and a molecular weight of 296.36 g/mol. Its IUPAC name is 2-(2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-1,3-thiazole.

Molecular Properties

Compound Name2-(2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-1,3-thiazole
PubChem CID121455939
Molecular FormulaC14H12N6S
Molecular Weight296.36 g/mol
Exact Mass296.08
IUPAC Name2-(2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-1,3-thiazole
SMILESc1cnc(-c2ncc3c(n2)CCN(c2nccs2)C3)nc1
InChIInChI=1S/C14H12N6S/c1-3-15-12(16-4-1)13-18-8-10-9-20(6-2-11(10)19-13)14-17-5-7-21-14/h1,3-5,7-8H,2,6,9H2
InChIKeyYNUYPSZNXMXFHD-UHFFFAOYSA-N
XLogP1.95
TPSA67.69 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.36
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-(2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-1,3-thiazole with MolForge

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Related Compounds

4-Pyridin-4-yl-2-pyrimidin-2-yl-1,3-thiazole
CID 145967693
4-Pyridin-3-yl-2-pyrimidin-2-yl-1,3-thiazole
CID 145970456
6-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-ylmethyl)imidazo[2,1-b][1,3]thiazole
CID 53573517
6-[(2-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]imidazo[2,1-b][1,3]thiazole
CID 53625724
6-[(2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]imidazo[2,1-b][1,3]thiazole
CID 72144307
2-[6-Methyl-2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]pyrimidin-4-yl]-1,3-thiazole
CID 92553708
2-[6-Methyl-2-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyrimidin-4-yl]-1,3-thiazole
CID 92553711
2-[4-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)piperazin-1-yl]-1,3-thiazole
CID 53540107
5-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-ylmethyl)-2-methyl-1,3-thiazole
CID 53572127
N~4~-methyl-N~4~-(1,3-thiazol-2-ylmethyl)-5,6,7,8-tetrahydroquinazoline-2,4-diamine
CID 72881580
2-[6-Methyl-2-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyrimidin-4-yl]-1,3-thiazole;hydrochloride
CID 118741739
6-[(5-chloro-1,3-thiazol-2-yl)methyl]-N,N-dimethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
CID 138014193

Frequently Asked Questions

What is the IUPAC name of 2-(2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-1,3-thiazole?
The IUPAC name of 2-(2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-1,3-thiazole (CID 121455939) is 2-(2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-1,3-thiazole.
What is the SMILES notation for 2-(2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-1,3-thiazole?
The canonical SMILES for 2-(2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-1,3-thiazole is c1cnc(-c2ncc3c(n2)CCN(c2nccs2)C3)nc1.
What is the InChIKey of 2-(2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-1,3-thiazole?
The InChIKey is YNUYPSZNXMXFHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N6S/c1-3-15-12(16-4-1)13-18-8-10-9-20(6-2-11(10)19-13)14-17-5-7-21-14/h1,3-5,7-8H,2,6,9H2.
What are the key properties of 2-(2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-1,3-thiazole?
2-(2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-1,3-thiazole has a molecular weight of 296.36 g/mol, XLogP of 1.95, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-1,3-thiazole is sourced from PubChem (CID 121455939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).