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

C16H25N3O — CID 114738450

IUPAC2-[cyclohexyl(ethoxy)methyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
SMILESCCOC(c1ncc2c(n1)CCNC2)C1CCCCC1
InChIInChI=1S/C16H25N3O/c1-2-20-15(12-6-4-3-5-7-12)16-18-11-13-10-17-9-8-14(13)19-16/h11-12,15,17H,2-10H2,1H3
InChIKeyCNGQAHBLZJOKJN-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.78
Rot. Bonds4

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

2-[cyclohexyl(ethoxy)methyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine (PubChem CID 114738450) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 2-[cyclohexyl(ethoxy)methyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name2-[cyclohexyl(ethoxy)methyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
PubChem CID114738450
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name2-[cyclohexyl(ethoxy)methyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
SMILESCCOC(c1ncc2c(n1)CCNC2)C1CCCCC1
InChIInChI=1S/C16H25N3O/c1-2-20-15(12-6-4-3-5-7-12)16-18-11-13-10-17-9-8-14(13)19-16/h11-12,15,17H,2-10H2,1H3
InChIKeyCNGQAHBLZJOKJN-UHFFFAOYSA-N
XLogP2.78
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-ethoxyethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 114738462
2-(1-ethoxyethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114740686
2-[cyclohexyl(ethoxy)methyl]-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one
CID 136941196
1-[2-[cyclohexyl(ethoxy)methyl]-4-methylpyrimidin-5-yl]-N-methylethanamine
CID 116778896
N-[[2-[cyclohexyl(ethoxy)methyl]pyrimidin-5-yl]methyl]cyclopropanamine
CID 116778816
2-[cyclopropyl(ethoxy)methyl]-N-ethyl-5,6,7,8-tetrahydroquinazolin-5-amine
CID 116728336
[2-[cyclopropyl(ethoxy)methyl]-4-(difluoromethyl)pyrimidin-5-yl]methanol
CID 114205177
N-[[2-[cyclohexyl(ethoxy)methyl]pyrimidin-4-yl]methyl]propan-2-amine
CID 116778533
3-[cyclohexyl(ethoxy)methyl]-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole
CID 104912102
3-[cyclohexyl(ethoxy)methyl]-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole
CID 104912103
3-[cyclohexyl(ethoxy)methyl]-5-piperidin-3-yl-1,2,4-oxadiazole
CID 116743600
2-(cyclohexylsulfanylmethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 114738325

Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexyl(ethoxy)methyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The IUPAC name of 2-[cyclohexyl(ethoxy)methyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine (CID 114738450) is 2-[cyclohexyl(ethoxy)methyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine.
What is the SMILES notation for 2-[cyclohexyl(ethoxy)methyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The canonical SMILES for 2-[cyclohexyl(ethoxy)methyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine is CCOC(c1ncc2c(n1)CCNC2)C1CCCCC1.
What is the InChIKey of 2-[cyclohexyl(ethoxy)methyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The InChIKey is CNGQAHBLZJOKJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-2-20-15(12-6-4-3-5-7-12)16-18-11-13-10-17-9-8-14(13)19-16/h11-12,15,17H,2-10H2,1H3.
What are the key properties of 2-[cyclohexyl(ethoxy)methyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
2-[cyclohexyl(ethoxy)methyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine has a molecular weight of 275.40 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexyl(ethoxy)methyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine is sourced from PubChem (CID 114738450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).