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

C18H18N4OS — CID 137299075

IUPAC4-[2-methyl-6-(1,3-thiazol-5-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]phenol
SMILESCc1nc2c(c(-c3ccc(O)cc3)n1)CN(Cc1cncs1)CC2
InChIInChI=1S/C18H18N4OS/c1-12-20-17-6-7-22(9-15-8-19-11-24-15)10-16(17)18(21-12)13-2-4-14(23)5-3-13/h2-5,8,11,23H,6-7,9-10H2,1H3
InChIKeyIQJXITWZEPCJGY-UHFFFAOYSA-N
MW338.44 g/mol
LogP3.17
Rot. Bonds3

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

4-[2-methyl-6-(1,3-thiazol-5-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]phenol (PubChem CID 137299075) has the molecular formula C18H18N4OS and a molecular weight of 338.44 g/mol. Its IUPAC name is 4-[2-methyl-6-(1,3-thiazol-5-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]phenol.

Molecular Properties

Compound Name4-[2-methyl-6-(1,3-thiazol-5-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]phenol
PubChem CID137299075
Molecular FormulaC18H18N4OS
Molecular Weight338.44 g/mol
Exact Mass338.12
IUPAC Name4-[2-methyl-6-(1,3-thiazol-5-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]phenol
SMILESCc1nc2c(c(-c3ccc(O)cc3)n1)CN(Cc1cncs1)CC2
InChIInChI=1S/C18H18N4OS/c1-12-20-17-6-7-22(9-15-8-19-11-24-15)10-16(17)18(21-12)13-2-4-14(23)5-3-13/h2-5,8,11,23H,6-7,9-10H2,1H3
InChIKeyIQJXITWZEPCJGY-UHFFFAOYSA-N
XLogP3.17
TPSA62.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.44
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[2-methyl-6-(1,3-thiazol-5-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]phenol?
The IUPAC name of 4-[2-methyl-6-(1,3-thiazol-5-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]phenol (CID 137299075) is 4-[2-methyl-6-(1,3-thiazol-5-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]phenol.
What is the SMILES notation for 4-[2-methyl-6-(1,3-thiazol-5-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]phenol?
The canonical SMILES for 4-[2-methyl-6-(1,3-thiazol-5-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]phenol is Cc1nc2c(c(-c3ccc(O)cc3)n1)CN(Cc1cncs1)CC2.
What is the InChIKey of 4-[2-methyl-6-(1,3-thiazol-5-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]phenol?
The InChIKey is IQJXITWZEPCJGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4OS/c1-12-20-17-6-7-22(9-15-8-19-11-24-15)10-16(17)18(21-12)13-2-4-14(23)5-3-13/h2-5,8,11,23H,6-7,9-10H2,1H3.
What are the key properties of 4-[2-methyl-6-(1,3-thiazol-5-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]phenol?
4-[2-methyl-6-(1,3-thiazol-5-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]phenol has a molecular weight of 338.44 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-methyl-6-(1,3-thiazol-5-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]phenol is sourced from PubChem (CID 137299075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).