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

C18H27N3O — CID 135865791

IUPAC7-(cyclohexylmethyl)-2-(cyclopropylmethyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESO=c1[nH]c(CC2CC2)nc2c1CCN(CC1CCCCC1)C2
InChIInChI=1S/C18H27N3O/c22-18-15-8-9-21(11-14-4-2-1-3-5-14)12-16(15)19-17(20-18)10-13-6-7-13/h13-14H,1-12H2,(H,19,20,22)
InChIKeyFUDSULWOCHYTQW-UHFFFAOYSA-N
MW301.43 g/mol
LogP2.66
Rot. Bonds4

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

7-(cyclohexylmethyl)-2-(cyclopropylmethyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (PubChem CID 135865791) has the molecular formula C18H27N3O and a molecular weight of 301.43 g/mol. Its IUPAC name is 7-(cyclohexylmethyl)-2-(cyclopropylmethyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-(cyclohexylmethyl)-2-(cyclopropylmethyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
PubChem CID135865791
Molecular FormulaC18H27N3O
Molecular Weight301.43 g/mol
Exact Mass301.22
IUPAC Name7-(cyclohexylmethyl)-2-(cyclopropylmethyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESO=c1[nH]c(CC2CC2)nc2c1CCN(CC1CCCCC1)C2
InChIInChI=1S/C18H27N3O/c22-18-15-8-9-21(11-14-4-2-1-3-5-14)12-16(15)19-17(20-18)10-13-6-7-13/h13-14H,1-12H2,(H,19,20,22)
InChIKeyFUDSULWOCHYTQW-UHFFFAOYSA-N
XLogP2.66
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(cyclohexylmethyl)-2-(cyclopropylmethyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 7-(cyclohexylmethyl)-2-(cyclopropylmethyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (CID 135865791) is 7-(cyclohexylmethyl)-2-(cyclopropylmethyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 7-(cyclohexylmethyl)-2-(cyclopropylmethyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 7-(cyclohexylmethyl)-2-(cyclopropylmethyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is O=c1[nH]c(CC2CC2)nc2c1CCN(CC1CCCCC1)C2.
What is the InChIKey of 7-(cyclohexylmethyl)-2-(cyclopropylmethyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The InChIKey is FUDSULWOCHYTQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O/c22-18-15-8-9-21(11-14-4-2-1-3-5-14)12-16(15)19-17(20-18)10-13-6-7-13/h13-14H,1-12H2,(H,19,20,22).
What are the key properties of 7-(cyclohexylmethyl)-2-(cyclopropylmethyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
7-(cyclohexylmethyl)-2-(cyclopropylmethyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one has a molecular weight of 301.43 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(cyclohexylmethyl)-2-(cyclopropylmethyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 135865791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).