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

C15H23N3O2 — CID 114742417

IUPAC4-ethyl-2-(4-methoxyoxan-4-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
SMILESCCc1nc(C2(OC)CCOCC2)nc2c1CCNC2
InChIInChI=1S/C15H23N3O2/c1-3-12-11-4-7-16-10-13(11)18-14(17-12)15(19-2)5-8-20-9-6-15/h16H,3-10H2,1-2H3
InChIKeySQJCQOYYZMUDPP-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.34
Rot. Bonds3

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

4-ethyl-2-(4-methoxyoxan-4-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine (PubChem CID 114742417) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 4-ethyl-2-(4-methoxyoxan-4-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine.

Molecular Properties

Compound Name4-ethyl-2-(4-methoxyoxan-4-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
PubChem CID114742417
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name4-ethyl-2-(4-methoxyoxan-4-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
SMILESCCc1nc(C2(OC)CCOCC2)nc2c1CCNC2
InChIInChI=1S/C15H23N3O2/c1-3-12-11-4-7-16-10-13(11)18-14(17-12)15(19-2)5-8-20-9-6-15/h16H,3-10H2,1-2H3
InChIKeySQJCQOYYZMUDPP-UHFFFAOYSA-N
XLogP1.34
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-ethoxycycloheptyl)-4-ethyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114740756
2-(1-methoxy-4-methylcyclohexyl)-4-propyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114741032
4-ethyl-2-(1-methylcyclopropyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114740885
4,6-dichloro-2-(4-methoxyoxan-4-yl)-5-methylpyrimidine
CID 116745967
4-ethyl-2-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 114742482
2-(1-methoxycyclobutyl)-4-propan-2-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 114738924
2-(1-methoxycyclobutyl)-4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 114737926
4-cyclopropyl-2-(1-methoxycyclobutyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 114739107
2-(4-methoxyoxan-4-yl)-5,6,7,8-tetrahydro-1H-pyrido[4,3-d]pyrimidine-4-thione
CID 106482692
2-(1-methoxycyclopentyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 114738420
4-chloro-5-iodo-2-(4-methoxyoxan-4-yl)-6-(2-methylpropyl)pyrimidine
CID 116746401
4-ethyl-2-phenyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 114742459

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-(4-methoxyoxan-4-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine?
The IUPAC name of 4-ethyl-2-(4-methoxyoxan-4-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine (CID 114742417) is 4-ethyl-2-(4-methoxyoxan-4-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine.
What is the SMILES notation for 4-ethyl-2-(4-methoxyoxan-4-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine?
The canonical SMILES for 4-ethyl-2-(4-methoxyoxan-4-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine is CCc1nc(C2(OC)CCOCC2)nc2c1CCNC2.
What is the InChIKey of 4-ethyl-2-(4-methoxyoxan-4-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine?
The InChIKey is SQJCQOYYZMUDPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-3-12-11-4-7-16-10-13(11)18-14(17-12)15(19-2)5-8-20-9-6-15/h16H,3-10H2,1-2H3.
What are the key properties of 4-ethyl-2-(4-methoxyoxan-4-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine?
4-ethyl-2-(4-methoxyoxan-4-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine has a molecular weight of 277.37 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-(4-methoxyoxan-4-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine is sourced from PubChem (CID 114742417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).