ethyl 2-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-yl)acetate

C11H15N3O2 — CID 56777005

IUPACethyl 2-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-yl)acetate
SMILESCCOC(=O)Cc1ncnc2c1CNCC2
InChIInChI=1S/C11H15N3O2/c1-2-16-11(15)5-10-8-6-12-4-3-9(8)13-7-14-10/h7,12H,2-6H2,1H3
InChIKeyKFLQEIKGVYMRPK-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.23
Rot. Bonds3

About ethyl 2-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-yl)acetate

ethyl 2-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-yl)acetate (PubChem CID 56777005) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is ethyl 2-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-yl)acetate
PubChem CID56777005
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Nameethyl 2-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-yl)acetate
SMILESCCOC(=O)Cc1ncnc2c1CNCC2
InChIInChI=1S/C11H15N3O2/c1-2-16-11(15)5-10-8-6-12-4-3-9(8)13-7-14-10/h7,12H,2-6H2,1H3
InChIKeyKFLQEIKGVYMRPK-UHFFFAOYSA-N
XLogP0.23
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-decyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 106778698
4-(2-methoxyethoxy)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 81222865
ethyl 2-(1H-1,2,4-triazol-5-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-4-carboxylate
CID 114738039
ethyl 4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine-3-carboxylate
CID 84666770
4-(4-propoxyphenoxy)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 81228728
ethyl 3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)propanoate
CID 62831496
ethyl 2-pyrrolidin-3-ylideneacetate;hydrochloride
CID 171369976
ethyl 2-(1-methylimidazol-2-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-4-carboxylate
CID 114738081
ethyl 2-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)propanoate
CID 18537760
ethyl 2-[4,7-dimethyl-6-[(4-methylbenzoyl)amino]-2,3-dihydro-1H-isoindol-5-yl]acetate
CID 129203337
4-(4-methylcyclohexyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 106779446
ethyl 2-(3-methoxypyrazin-2-yl)acetate
CID 112692734

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-yl)acetate?
The IUPAC name of ethyl 2-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-yl)acetate (CID 56777005) is ethyl 2-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-yl)acetate.
What is the SMILES notation for ethyl 2-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-yl)acetate?
The canonical SMILES for ethyl 2-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-yl)acetate is CCOC(=O)Cc1ncnc2c1CNCC2.
What is the InChIKey of ethyl 2-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-yl)acetate?
The InChIKey is KFLQEIKGVYMRPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-2-16-11(15)5-10-8-6-12-4-3-9(8)13-7-14-10/h7,12H,2-6H2,1H3.
What are the key properties of ethyl 2-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-yl)acetate?
ethyl 2-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-yl)acetate has a molecular weight of 221.26 g/mol, XLogP of 0.23, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-yl)acetate is sourced from PubChem (CID 56777005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).