2-(1-ethoxycycloheptyl)-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one

C16H25N3O2 — CID 136941508

IUPAC2-(1-ethoxycycloheptyl)-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one
SMILESCCOC1(c2nc3c(c(=O)[nH]2)CCNC3)CCCCCC1
InChIInChI=1S/C16H25N3O2/c1-2-21-16(8-5-3-4-6-9-16)15-18-13-11-17-10-7-12(13)14(20)19-15/h17H,2-11H2,1H3,(H,18,19,20)
InChIKeyCDXZCZHJWKYCSV-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.00
Rot. Bonds3

About 2-(1-ethoxycycloheptyl)-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one

2-(1-ethoxycycloheptyl)-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one (PubChem CID 136941508) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 2-(1-ethoxycycloheptyl)-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(1-ethoxycycloheptyl)-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one
PubChem CID136941508
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name2-(1-ethoxycycloheptyl)-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one
SMILESCCOC1(c2nc3c(c(=O)[nH]2)CCNC3)CCCCCC1
InChIInChI=1S/C16H25N3O2/c1-2-21-16(8-5-3-4-6-9-16)15-18-13-11-17-10-7-12(13)14(20)19-15/h17H,2-11H2,1H3,(H,18,19,20)
InChIKeyCDXZCZHJWKYCSV-UHFFFAOYSA-N
XLogP2.00
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-methoxycycloheptyl)-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one
CID 136941104
2-(1-ethoxycycloheptyl)-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one
CID 136941132
2-(1-ethoxycyclohexyl)-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one
CID 136941136
2-[cyclohexyl(ethoxy)methyl]-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one
CID 136941196
2-(1-Ethoxycycloheptyl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one
CID 136941269
2-(4-ethoxyoxan-4-yl)-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one
CID 136941485
2-(2-methyloxan-2-yl)-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one
CID 136941500
2-(3-ethoxypentan-3-yl)-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one
CID 136941505
2-[cyclohexyl(ethoxy)methyl]-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one
CID 136941507
2-(1-methoxycyclopentyl)-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one
CID 136941535
2-(4-methoxyoxan-4-yl)-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one
CID 136941536
2-(1-methoxy-4-methylcyclohexyl)-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one
CID 136941537

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethoxycycloheptyl)-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 2-(1-ethoxycycloheptyl)-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one (CID 136941508) is 2-(1-ethoxycycloheptyl)-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 2-(1-ethoxycycloheptyl)-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 2-(1-ethoxycycloheptyl)-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one is CCOC1(c2nc3c(c(=O)[nH]2)CCNC3)CCCCCC1.
What is the InChIKey of 2-(1-ethoxycycloheptyl)-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one?
The InChIKey is CDXZCZHJWKYCSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-2-21-16(8-5-3-4-6-9-16)15-18-13-11-17-10-7-12(13)14(20)19-15/h17H,2-11H2,1H3,(H,18,19,20).
What are the key properties of 2-(1-ethoxycycloheptyl)-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one?
2-(1-ethoxycycloheptyl)-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one has a molecular weight of 291.39 g/mol, XLogP of 2.00, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethoxycycloheptyl)-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 136941508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).