2-cyclohexyl-7-(ethoxymethyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one

C16H25N3O2 — CID 135866120

IUPAC2-cyclohexyl-7-(ethoxymethyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESCCOCN1CCc2c(nc(C3CCCCC3)[nH]c2=O)C1
InChIInChI=1S/C16H25N3O2/c1-2-21-11-19-9-8-13-14(10-19)17-15(18-16(13)20)12-6-4-3-5-7-12/h12H,2-11H2,1H3,(H,17,18,20)
InChIKeyICVSKJIDAYMFAV-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.17
Rot. Bonds4

About 2-cyclohexyl-7-(ethoxymethyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one

2-cyclohexyl-7-(ethoxymethyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (PubChem CID 135866120) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 2-cyclohexyl-7-(ethoxymethyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-cyclohexyl-7-(ethoxymethyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
PubChem CID135866120
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name2-cyclohexyl-7-(ethoxymethyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESCCOCN1CCc2c(nc(C3CCCCC3)[nH]c2=O)C1
InChIInChI=1S/C16H25N3O2/c1-2-21-11-19-9-8-13-14(10-19)17-15(18-16(13)20)12-6-4-3-5-7-12/h12H,2-11H2,1H3,(H,17,18,20)
InChIKeyICVSKJIDAYMFAV-UHFFFAOYSA-N
XLogP2.17
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-(Cyclohexylmethyl)-2-methyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135865784
6-(Cyclohexylmethyl)-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136707124
7-[(2,4-Dimethylcyclohex-3-en-1-yl)methyl]-2-methyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 137095098
7-(2-cyclohexylacetyl)-2-(2-methoxyethyl)-5,6,8,9-tetrahydro-3H-pyrimido[4,5-d]azepin-4-one
CID 137167034
2-Cyclohexyl-6-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135861547
2-Propyl-7-[2-(2,6,6-trimethylcyclohexen-1-yl)ethyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135863933
2-Cyclopropyl-7-[2-(2,6,6-trimethylcyclohexen-1-yl)ethyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135863937
2-Cyclohexyl-7-[2-(2,6,6-trimethylcyclohexen-1-yl)ethyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135863940
2-Methyl-7-[2-(2,6,6-trimethylcyclohexen-1-yl)ethyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135863943
2-Propan-2-yl-7-[2-(2,6,6-trimethylcyclohexen-1-yl)ethyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135863944
2-(Cyclopropylmethyl)-7-[2-(2,6,6-trimethylcyclohexen-1-yl)ethyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135863950
7-(Cyclohex-3-en-1-ylmethyl)-2-propyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135865531

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-7-(ethoxymethyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 2-cyclohexyl-7-(ethoxymethyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (CID 135866120) is 2-cyclohexyl-7-(ethoxymethyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 2-cyclohexyl-7-(ethoxymethyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 2-cyclohexyl-7-(ethoxymethyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is CCOCN1CCc2c(nc(C3CCCCC3)[nH]c2=O)C1.
What is the InChIKey of 2-cyclohexyl-7-(ethoxymethyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The InChIKey is ICVSKJIDAYMFAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-2-21-11-19-9-8-13-14(10-19)17-15(18-16(13)20)12-6-4-3-5-7-12/h12H,2-11H2,1H3,(H,17,18,20).
What are the key properties of 2-cyclohexyl-7-(ethoxymethyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
2-cyclohexyl-7-(ethoxymethyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one has a molecular weight of 291.39 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-7-(ethoxymethyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 135866120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).