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

C19H30N4O2 — CID 135719801

IUPAC7-cyclohexyl-2-(2,6-dimethylmorpholin-4-yl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESCC1CN(c2nc3c(c(=O)[nH]2)CCN(C2CCCCC2)C3)CC(C)O1
InChIInChI=1S/C19H30N4O2/c1-13-10-23(11-14(2)25-13)19-20-17-12-22(15-6-4-3-5-7-15)9-8-16(17)18(24)21-19/h13-15H,3-12H2,1-2H3,(H,20,21,24)
InChIKeyHDXZYIVKMCSEBC-UHFFFAOYSA-N
MW346.48 g/mol
LogP2.07
Rot. Bonds2

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

7-cyclohexyl-2-(2,6-dimethylmorpholin-4-yl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (PubChem CID 135719801) has the molecular formula C19H30N4O2 and a molecular weight of 346.48 g/mol. Its IUPAC name is 7-cyclohexyl-2-(2,6-dimethylmorpholin-4-yl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-cyclohexyl-2-(2,6-dimethylmorpholin-4-yl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
PubChem CID135719801
Molecular FormulaC19H30N4O2
Molecular Weight346.48 g/mol
Exact Mass346.24
IUPAC Name7-cyclohexyl-2-(2,6-dimethylmorpholin-4-yl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESCC1CN(c2nc3c(c(=O)[nH]2)CCN(C2CCCCC2)C3)CC(C)O1
InChIInChI=1S/C19H30N4O2/c1-13-10-23(11-14(2)25-13)19-20-17-12-22(15-6-4-3-5-7-15)9-8-16(17)18(24)21-19/h13-15H,3-12H2,1-2H3,(H,20,21,24)
InChIKeyHDXZYIVKMCSEBC-UHFFFAOYSA-N
XLogP2.07
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-cyclohexyl-2-(2,6-dimethylmorpholin-4-yl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 7-cyclohexyl-2-(2,6-dimethylmorpholin-4-yl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (CID 135719801) is 7-cyclohexyl-2-(2,6-dimethylmorpholin-4-yl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 7-cyclohexyl-2-(2,6-dimethylmorpholin-4-yl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 7-cyclohexyl-2-(2,6-dimethylmorpholin-4-yl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is CC1CN(c2nc3c(c(=O)[nH]2)CCN(C2CCCCC2)C3)CC(C)O1.
What is the InChIKey of 7-cyclohexyl-2-(2,6-dimethylmorpholin-4-yl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The InChIKey is HDXZYIVKMCSEBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O2/c1-13-10-23(11-14(2)25-13)19-20-17-12-22(15-6-4-3-5-7-15)9-8-16(17)18(24)21-19/h13-15H,3-12H2,1-2H3,(H,20,21,24).
What are the key properties of 7-cyclohexyl-2-(2,6-dimethylmorpholin-4-yl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
7-cyclohexyl-2-(2,6-dimethylmorpholin-4-yl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one has a molecular weight of 346.48 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclohexyl-2-(2,6-dimethylmorpholin-4-yl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 135719801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).