2-(1-cyclohexylethylamino)-3-methoxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

C16H26N4O2 — CID 77178294

IUPAC2-(1-cyclohexylethylamino)-3-methoxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCOn1c(NC(C)C2CCCCC2)nc2c(c1=O)CNCC2
InChIInChI=1S/C16H26N4O2/c1-11(12-6-4-3-5-7-12)18-16-19-14-8-9-17-10-13(14)15(21)20(16)22-2/h11-12,17H,3-10H2,1-2H3,(H,18,19)
InChIKeyCEDQKMWPHKNGFA-UHFFFAOYSA-N
MW306.41 g/mol
LogP1.33
Rot. Bonds4

About 2-(1-cyclohexylethylamino)-3-methoxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

2-(1-cyclohexylethylamino)-3-methoxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 77178294) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is 2-(1-cyclohexylethylamino)-3-methoxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(1-cyclohexylethylamino)-3-methoxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
PubChem CID77178294
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC Name2-(1-cyclohexylethylamino)-3-methoxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCOn1c(NC(C)C2CCCCC2)nc2c(c1=O)CNCC2
InChIInChI=1S/C16H26N4O2/c1-11(12-6-4-3-5-7-12)18-16-19-14-8-9-17-10-13(14)15(21)20(16)22-2/h11-12,17H,3-10H2,1-2H3,(H,18,19)
InChIKeyCEDQKMWPHKNGFA-UHFFFAOYSA-N
XLogP1.33
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclohexylethylamino)-3-methoxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 2-(1-cyclohexylethylamino)-3-methoxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 77178294) is 2-(1-cyclohexylethylamino)-3-methoxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-(1-cyclohexylethylamino)-3-methoxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 2-(1-cyclohexylethylamino)-3-methoxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is COn1c(NC(C)C2CCCCC2)nc2c(c1=O)CNCC2.
What is the InChIKey of 2-(1-cyclohexylethylamino)-3-methoxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The InChIKey is CEDQKMWPHKNGFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-11(12-6-4-3-5-7-12)18-16-19-14-8-9-17-10-13(14)15(21)20(16)22-2/h11-12,17H,3-10H2,1-2H3,(H,18,19).
What are the key properties of 2-(1-cyclohexylethylamino)-3-methoxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
2-(1-cyclohexylethylamino)-3-methoxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 306.41 g/mol, XLogP of 1.33, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclohexylethylamino)-3-methoxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 77178294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).