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

C20H20N4O — CID 137299238

IUPAC4-[2-methyl-6-(pyridin-2-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]phenol
SMILESCc1nc2c(c(-c3ccc(O)cc3)n1)CN(Cc1ccccn1)CC2
InChIInChI=1S/C20H20N4O/c1-14-22-19-9-11-24(12-16-4-2-3-10-21-16)13-18(19)20(23-14)15-5-7-17(25)8-6-15/h2-8,10,25H,9,11-13H2,1H3
InChIKeyXMUJEXBDSXEICD-UHFFFAOYSA-N
MW332.41 g/mol
LogP3.11
Rot. Bonds3

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

4-[2-methyl-6-(pyridin-2-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]phenol (PubChem CID 137299238) has the molecular formula C20H20N4O and a molecular weight of 332.41 g/mol. Its IUPAC name is 4-[2-methyl-6-(pyridin-2-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]phenol.

Molecular Properties

Compound Name4-[2-methyl-6-(pyridin-2-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]phenol
PubChem CID137299238
Molecular FormulaC20H20N4O
Molecular Weight332.41 g/mol
Exact Mass332.16
IUPAC Name4-[2-methyl-6-(pyridin-2-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]phenol
SMILESCc1nc2c(c(-c3ccc(O)cc3)n1)CN(Cc1ccccn1)CC2
InChIInChI=1S/C20H20N4O/c1-14-22-19-9-11-24(12-16-4-2-3-10-21-16)13-18(19)20(23-14)15-5-7-17(25)8-6-15/h2-8,10,25H,9,11-13H2,1H3
InChIKeyXMUJEXBDSXEICD-UHFFFAOYSA-N
XLogP3.11
TPSA62.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-methyl-6-(pyridin-2-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]phenol?
The IUPAC name of 4-[2-methyl-6-(pyridin-2-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]phenol (CID 137299238) is 4-[2-methyl-6-(pyridin-2-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]phenol.
What is the SMILES notation for 4-[2-methyl-6-(pyridin-2-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]phenol?
The canonical SMILES for 4-[2-methyl-6-(pyridin-2-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]phenol is Cc1nc2c(c(-c3ccc(O)cc3)n1)CN(Cc1ccccn1)CC2.
What is the InChIKey of 4-[2-methyl-6-(pyridin-2-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]phenol?
The InChIKey is XMUJEXBDSXEICD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O/c1-14-22-19-9-11-24(12-16-4-2-3-10-21-16)13-18(19)20(23-14)15-5-7-17(25)8-6-15/h2-8,10,25H,9,11-13H2,1H3.
What are the key properties of 4-[2-methyl-6-(pyridin-2-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]phenol?
4-[2-methyl-6-(pyridin-2-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]phenol has a molecular weight of 332.41 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-methyl-6-(pyridin-2-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]phenol is sourced from PubChem (CID 137299238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).