2-methyl-4-(oxan-3-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine

C13H19N3O — CID 83850597

IUPAC2-methyl-4-(oxan-3-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
SMILESCc1nc2c(c(C3CCCOC3)n1)CNCC2
InChIInChI=1S/C13H19N3O/c1-9-15-12-4-5-14-7-11(12)13(16-9)10-3-2-6-17-8-10/h10,14H,2-8H2,1H3
InChIKeyZDXHQWRUSVDHBR-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.32
Rot. Bonds1

About 2-methyl-4-(oxan-3-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine

2-methyl-4-(oxan-3-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine (PubChem CID 83850597) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-methyl-4-(oxan-3-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name2-methyl-4-(oxan-3-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
PubChem CID83850597
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name2-methyl-4-(oxan-3-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
SMILESCc1nc2c(c(C3CCCOC3)n1)CNCC2
InChIInChI=1S/C13H19N3O/c1-9-15-12-4-5-14-7-11(12)13(16-9)10-3-2-6-17-8-10/h10,14H,2-8H2,1H3
InChIKeyZDXHQWRUSVDHBR-UHFFFAOYSA-N
XLogP1.32
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(oxan-3-yl)-5,6,7,8-tetrahydro-1H-pyrido[3,4-d]pyrimidin-2-one
CID 83850759
methyl 2-(oxan-3-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-4-carboxylate
CID 114738159
4-(oxan-3-yl)-1,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-2-one
CID 83849665
4-cyclobutyl-2-(1-methylcyclopropyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 114739325
4-chloro-2-(oxolan-3-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 115043381
N-cyclopentyl-2-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
CID 105491814
N-cyclohexyl-N,2-dimethyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
CID 115145279
N-(cyclobutylmethyl)-2-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
CID 115145300
2-methyl-4-propan-2-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 83847207
4-cyclobutyl-2-(3-methoxypentan-3-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 114739300
2-(4-chlorophenyl)-4-cyclobutyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 114739362
4-cyclopropyl-2-(3-methylcyclopentyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 114739202

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(oxan-3-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The IUPAC name of 2-methyl-4-(oxan-3-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine (CID 83850597) is 2-methyl-4-(oxan-3-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine.
What is the SMILES notation for 2-methyl-4-(oxan-3-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The canonical SMILES for 2-methyl-4-(oxan-3-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine is Cc1nc2c(c(C3CCCOC3)n1)CNCC2.
What is the InChIKey of 2-methyl-4-(oxan-3-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The InChIKey is ZDXHQWRUSVDHBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-9-15-12-4-5-14-7-11(12)13(16-9)10-3-2-6-17-8-10/h10,14H,2-8H2,1H3.
What are the key properties of 2-methyl-4-(oxan-3-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
2-methyl-4-(oxan-3-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine has a molecular weight of 233.31 g/mol, XLogP of 1.32, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(oxan-3-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine is sourced from PubChem (CID 83850597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).