8-[2-[cyclohexyl(methyl)amino]ethyl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one

C17H26N4O — CID 53193753

IUPAC8-[2-[cyclohexyl(methyl)amino]ethyl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
SMILESCc1ncnc2c1CCC(=O)N2CCN(C)C1CCCCC1
InChIInChI=1S/C17H26N4O/c1-13-15-8-9-16(22)21(17(15)19-12-18-13)11-10-20(2)14-6-4-3-5-7-14/h12,14H,3-11H2,1-2H3
InChIKeyXCPKCDDRXZFELD-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.33
Rot. Bonds4

About 8-[2-[cyclohexyl(methyl)amino]ethyl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one

8-[2-[cyclohexyl(methyl)amino]ethyl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one (PubChem CID 53193753) has the molecular formula C17H26N4O and a molecular weight of 302.42 g/mol. Its IUPAC name is 8-[2-[cyclohexyl(methyl)amino]ethyl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name8-[2-[cyclohexyl(methyl)amino]ethyl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
PubChem CID53193753
Molecular FormulaC17H26N4O
Molecular Weight302.42 g/mol
Exact Mass302.21
IUPAC Name8-[2-[cyclohexyl(methyl)amino]ethyl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
SMILESCc1ncnc2c1CCC(=O)N2CCN(C)C1CCCCC1
InChIInChI=1S/C17H26N4O/c1-13-15-8-9-16(22)21(17(15)19-12-18-13)11-10-20(2)14-6-4-3-5-7-14/h12,14H,3-11H2,1-2H3
InChIKeyXCPKCDDRXZFELD-UHFFFAOYSA-N
XLogP2.33
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-[2-[cyclohexyl(methyl)amino]ethyl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 8-[2-[cyclohexyl(methyl)amino]ethyl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one (CID 53193753) is 8-[2-[cyclohexyl(methyl)amino]ethyl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 8-[2-[cyclohexyl(methyl)amino]ethyl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 8-[2-[cyclohexyl(methyl)amino]ethyl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one is Cc1ncnc2c1CCC(=O)N2CCN(C)C1CCCCC1.
What is the InChIKey of 8-[2-[cyclohexyl(methyl)amino]ethyl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The InChIKey is XCPKCDDRXZFELD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O/c1-13-15-8-9-16(22)21(17(15)19-12-18-13)11-10-20(2)14-6-4-3-5-7-14/h12,14H,3-11H2,1-2H3.
What are the key properties of 8-[2-[cyclohexyl(methyl)amino]ethyl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
8-[2-[cyclohexyl(methyl)amino]ethyl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one has a molecular weight of 302.42 g/mol, XLogP of 2.33, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-[cyclohexyl(methyl)amino]ethyl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 53193753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).