2-cyclopropyl-4-ethoxy-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine

C12H17N3O — CID 105474414

IUPAC2-cyclopropyl-4-ethoxy-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
SMILESCCOc1nc(C2CC2)nc2c1CCNC2
InChIInChI=1S/C12H17N3O/c1-2-16-12-9-5-6-13-7-10(9)14-11(15-12)8-3-4-8/h8,13H,2-7H2,1H3
InChIKeyMBUGOWOLCHJOSO-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.40
Rot. Bonds3

About 2-cyclopropyl-4-ethoxy-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine

2-cyclopropyl-4-ethoxy-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine (PubChem CID 105474414) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 2-cyclopropyl-4-ethoxy-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine.

Molecular Properties

Compound Name2-cyclopropyl-4-ethoxy-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
PubChem CID105474414
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name2-cyclopropyl-4-ethoxy-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
SMILESCCOc1nc(C2CC2)nc2c1CCNC2
InChIInChI=1S/C12H17N3O/c1-2-16-12-9-5-6-13-7-10(9)14-11(15-12)8-3-4-8/h8,13H,2-7H2,1H3
InChIKeyMBUGOWOLCHJOSO-UHFFFAOYSA-N
XLogP1.40
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclobutyl-4-ethoxy-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 105474416
2-cyclopentyl-4-ethoxy-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 105493384
2-cyclopropyl-4-ethoxy-7-methyl-5,6,8,9-tetrahydropyrimido[4,5-d]azepine
CID 11651708
2-(4-ethylcyclohexyl)-4-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 114742191
4-methoxy-2-piperidin-4-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 115040233
2-cyclopropyl-4-[2-(2,5-dimethylphenyl)ethoxy]-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepine
CID 11632179
4-ethoxy-2-propan-2-yl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepine
CID 105496831
2-cyclopentyl-N-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
CID 105491818
2-(3-ethylcyclopentyl)-4-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 114742917
4-methoxy-2-pyrrolidin-3-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 115040229
2-ethyl-4-methoxy-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 105447306
4-propyl-2-(thiolan-2-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 114742641

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-ethoxy-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine?
The IUPAC name of 2-cyclopropyl-4-ethoxy-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine (CID 105474414) is 2-cyclopropyl-4-ethoxy-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine.
What is the SMILES notation for 2-cyclopropyl-4-ethoxy-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine?
The canonical SMILES for 2-cyclopropyl-4-ethoxy-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine is CCOc1nc(C2CC2)nc2c1CCNC2.
What is the InChIKey of 2-cyclopropyl-4-ethoxy-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine?
The InChIKey is MBUGOWOLCHJOSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-2-16-12-9-5-6-13-7-10(9)14-11(15-12)8-3-4-8/h8,13H,2-7H2,1H3.
What are the key properties of 2-cyclopropyl-4-ethoxy-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine?
2-cyclopropyl-4-ethoxy-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine has a molecular weight of 219.29 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-ethoxy-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine is sourced from PubChem (CID 105474414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).