4-(4-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)-1,3-thiazole

C11H12N4S — CID 114737819

IUPAC4-(4-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)-1,3-thiazole
SMILESCc1nc(-c2cscn2)nc2c1CNCC2
InChIInChI=1S/C11H12N4S/c1-7-8-4-12-3-2-9(8)15-11(14-7)10-5-16-6-13-10/h5-6,12H,2-4H2,1H3
InChIKeyYNPNVVFONUUFDJ-UHFFFAOYSA-N
MW232.31 g/mol
LogP1.55
Rot. Bonds1

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

4-(4-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)-1,3-thiazole (PubChem CID 114737819) has the molecular formula C11H12N4S and a molecular weight of 232.31 g/mol. Its IUPAC name is 4-(4-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)-1,3-thiazole.

Molecular Properties

Compound Name4-(4-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)-1,3-thiazole
PubChem CID114737819
Molecular FormulaC11H12N4S
Molecular Weight232.31 g/mol
Exact Mass232.08
IUPAC Name4-(4-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)-1,3-thiazole
SMILESCc1nc(-c2cscn2)nc2c1CNCC2
InChIInChI=1S/C11H12N4S/c1-7-8-4-12-3-2-9(8)15-11(14-7)10-5-16-6-13-10/h5-6,12H,2-4H2,1H3
InChIKeyYNPNVVFONUUFDJ-UHFFFAOYSA-N
XLogP1.55
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.31
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-bromothiophen-2-yl)-4-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 114737697
5-(4-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)-1,3-thiazole
CID 114737886
4-methyl-2-(4-methylphenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 114737647
4-methyl-2-(1-methylimidazol-2-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 114737793
2-(4-methoxyphenyl)-4-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 114737684
4-methyl-2-(2-methylfuran-3-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 114737862
2-(1,3-thiazol-4-yl)-5,6,7,8-tetrahydro-1H-pyrido[4,3-d]pyrimidine-4-thione
CID 106482874
2-(4-fluoro-3-methylphenyl)-4-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 114737805
N-methyl-2-(1,3-thiazol-4-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83191389
2,3,4-trimethyl-5,6,7,8-tetrahydro-1,6-naphthyridine
CID 20689236
4-methyl-2-pyridin-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;dihydrochloride
CID 71298613
2-(4-chloro-2-methoxyphenyl)-4-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 106820049

Frequently Asked Questions

What is the IUPAC name of 4-(4-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)-1,3-thiazole?
The IUPAC name of 4-(4-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)-1,3-thiazole (CID 114737819) is 4-(4-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)-1,3-thiazole.
What is the SMILES notation for 4-(4-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)-1,3-thiazole?
The canonical SMILES for 4-(4-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)-1,3-thiazole is Cc1nc(-c2cscn2)nc2c1CNCC2.
What is the InChIKey of 4-(4-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)-1,3-thiazole?
The InChIKey is YNPNVVFONUUFDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4S/c1-7-8-4-12-3-2-9(8)15-11(14-7)10-5-16-6-13-10/h5-6,12H,2-4H2,1H3.
What are the key properties of 4-(4-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)-1,3-thiazole?
4-(4-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)-1,3-thiazole has a molecular weight of 232.31 g/mol, XLogP of 1.55, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)-1,3-thiazole is sourced from PubChem (CID 114737819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).