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

C14H19N3O3 — CID 114738159

IUPACmethyl 2-(oxan-3-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-4-carboxylate
SMILESCOC(=O)c1nc(C2CCCOC2)nc2c1CNCC2
InChIInChI=1S/C14H19N3O3/c1-19-14(18)12-10-7-15-5-4-11(10)16-13(17-12)9-3-2-6-20-8-9/h9,15H,2-8H2,1H3
InChIKeySRLLCISIBDDUOZ-UHFFFAOYSA-N
MW277.32 g/mol
LogP0.80
Rot. Bonds2

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

methyl 2-(oxan-3-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-4-carboxylate (PubChem CID 114738159) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is methyl 2-(oxan-3-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-(oxan-3-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-4-carboxylate
PubChem CID114738159
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Namemethyl 2-(oxan-3-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-4-carboxylate
SMILESCOC(=O)c1nc(C2CCCOC2)nc2c1CNCC2
InChIInChI=1S/C14H19N3O3/c1-19-14(18)12-10-7-15-5-4-11(10)16-13(17-12)9-3-2-6-20-8-9/h9,15H,2-8H2,1H3
InChIKeySRLLCISIBDDUOZ-UHFFFAOYSA-N
XLogP0.80
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-cycloheptyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-4-carboxylate
CID 114738187
methyl 2-(4,4-dimethylcyclohexyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine-4-carboxylate
CID 114741522
2-methyl-4-(oxan-3-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 83850597
4-chloro-2-(oxolan-3-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 115043381
methyl 2-(3-ethylcyclopentyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine-4-carboxylate
CID 114741585
N-methyl-2-(oxan-3-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472179
ethyl 2-(2-methylcyclopropyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-4-carboxylate
CID 114738097
4-(oxan-3-yl)-5,6,7,8-tetrahydro-1H-pyrido[3,4-d]pyrimidin-2-one
CID 83850759
methyl 2-anilino-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-4-carboxylate
CID 114738168
2-(oxan-3-yl)-5,6,7,8-tetrahydroquinazolin-4-amine
CID 55241641
2-cyclobutyl-N-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
CID 105473130
[2-(oxan-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine
CID 63741787

Frequently Asked Questions

What is the IUPAC name of methyl 2-(oxan-3-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-4-carboxylate?
The IUPAC name of methyl 2-(oxan-3-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-4-carboxylate (CID 114738159) is methyl 2-(oxan-3-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-4-carboxylate.
What is the SMILES notation for methyl 2-(oxan-3-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-4-carboxylate?
The canonical SMILES for methyl 2-(oxan-3-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-4-carboxylate is COC(=O)c1nc(C2CCCOC2)nc2c1CNCC2.
What is the InChIKey of methyl 2-(oxan-3-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-4-carboxylate?
The InChIKey is SRLLCISIBDDUOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-19-14(18)12-10-7-15-5-4-11(10)16-13(17-12)9-3-2-6-20-8-9/h9,15H,2-8H2,1H3.
What are the key properties of methyl 2-(oxan-3-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-4-carboxylate?
methyl 2-(oxan-3-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-4-carboxylate has a molecular weight of 277.32 g/mol, XLogP of 0.80, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(oxan-3-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-4-carboxylate is sourced from PubChem (CID 114738159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).