2-[cyclohexyl(methoxy)methyl]-4-ethyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine

C17H27N3O — CID 114742512

IUPAC2-[cyclohexyl(methoxy)methyl]-4-ethyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
SMILESCCc1nc(C(OC)C2CCCCC2)nc2c1CCNC2
InChIInChI=1S/C17H27N3O/c1-3-14-13-9-10-18-11-15(13)20-17(19-14)16(21-2)12-7-5-4-6-8-12/h12,16,18H,3-11H2,1-2H3
InChIKeyGYHIMSXMOWOFKR-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.95
Rot. Bonds4

About 2-[cyclohexyl(methoxy)methyl]-4-ethyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine

2-[cyclohexyl(methoxy)methyl]-4-ethyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine (PubChem CID 114742512) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 2-[cyclohexyl(methoxy)methyl]-4-ethyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine.

Molecular Properties

Compound Name2-[cyclohexyl(methoxy)methyl]-4-ethyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
PubChem CID114742512
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name2-[cyclohexyl(methoxy)methyl]-4-ethyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
SMILESCCc1nc(C(OC)C2CCCCC2)nc2c1CCNC2
InChIInChI=1S/C17H27N3O/c1-3-14-13-9-10-18-11-15(13)20-17(19-14)16(21-2)12-7-5-4-6-8-12/h12,16,18H,3-11H2,1-2H3
InChIKeyGYHIMSXMOWOFKR-UHFFFAOYSA-N
XLogP2.95
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexyl(methoxy)methyl]-4-ethyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine?
The IUPAC name of 2-[cyclohexyl(methoxy)methyl]-4-ethyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine (CID 114742512) is 2-[cyclohexyl(methoxy)methyl]-4-ethyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine.
What is the SMILES notation for 2-[cyclohexyl(methoxy)methyl]-4-ethyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine?
The canonical SMILES for 2-[cyclohexyl(methoxy)methyl]-4-ethyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine is CCc1nc(C(OC)C2CCCCC2)nc2c1CCNC2.
What is the InChIKey of 2-[cyclohexyl(methoxy)methyl]-4-ethyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine?
The InChIKey is GYHIMSXMOWOFKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-3-14-13-9-10-18-11-15(13)20-17(19-14)16(21-2)12-7-5-4-6-8-12/h12,16,18H,3-11H2,1-2H3.
What are the key properties of 2-[cyclohexyl(methoxy)methyl]-4-ethyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine?
2-[cyclohexyl(methoxy)methyl]-4-ethyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine has a molecular weight of 289.42 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexyl(methoxy)methyl]-4-ethyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine is sourced from PubChem (CID 114742512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).