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

C18H22N4O — CID 177382996

IUPAC6-benzyl-2-(cyclopropylmethylamino)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESO=c1[nH]c(NCC2CC2)nc2c1CN(Cc1ccccc1)CC2
InChIInChI=1S/C18H22N4O/c23-17-15-12-22(11-14-4-2-1-3-5-14)9-8-16(15)20-18(21-17)19-10-13-6-7-13/h1-5,13H,6-12H2,(H2,19,20,21,23)
InChIKeyCNDNLTXISJPTOL-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.15
Rot. Bonds5

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

6-benzyl-2-(cyclopropylmethylamino)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 177382996) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is 6-benzyl-2-(cyclopropylmethylamino)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-benzyl-2-(cyclopropylmethylamino)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
PubChem CID177382996
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC Name6-benzyl-2-(cyclopropylmethylamino)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESO=c1[nH]c(NCC2CC2)nc2c1CN(Cc1ccccc1)CC2
InChIInChI=1S/C18H22N4O/c23-17-15-12-22(11-14-4-2-1-3-5-14)9-8-16(15)20-18(21-17)19-10-13-6-7-13/h1-5,13H,6-12H2,(H2,19,20,21,23)
InChIKeyCNDNLTXISJPTOL-UHFFFAOYSA-N
XLogP2.15
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-benzyl-2-(cyclopropylmethylamino)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 6-benzyl-2-(cyclopropylmethylamino)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 177382996) is 6-benzyl-2-(cyclopropylmethylamino)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 6-benzyl-2-(cyclopropylmethylamino)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 6-benzyl-2-(cyclopropylmethylamino)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is O=c1[nH]c(NCC2CC2)nc2c1CN(Cc1ccccc1)CC2.
What is the InChIKey of 6-benzyl-2-(cyclopropylmethylamino)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The InChIKey is CNDNLTXISJPTOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c23-17-15-12-22(11-14-4-2-1-3-5-14)9-8-16(15)20-18(21-17)19-10-13-6-7-13/h1-5,13H,6-12H2,(H2,19,20,21,23).
What are the key properties of 6-benzyl-2-(cyclopropylmethylamino)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
6-benzyl-2-(cyclopropylmethylamino)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 310.40 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-2-(cyclopropylmethylamino)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 177382996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).