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

C18H20BrN3O — CID 135864110

IUPAC7-[(2-bromophenyl)methyl]-2-(cyclopropylmethyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESO=c1[nH]c(CC2CC2)nc2c1CCN(Cc1ccccc1Br)C2
InChIInChI=1S/C18H20BrN3O/c19-15-4-2-1-3-13(15)10-22-8-7-14-16(11-22)20-17(21-18(14)23)9-12-5-6-12/h1-4,12H,5-11H2,(H,20,21,23)
InChIKeySIWKMUZKNXCZRE-UHFFFAOYSA-N
MW374.28 g/mol
LogP3.04
Rot. Bonds4

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

7-[(2-bromophenyl)methyl]-2-(cyclopropylmethyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (PubChem CID 135864110) has the molecular formula C18H20BrN3O and a molecular weight of 374.28 g/mol. Its IUPAC name is 7-[(2-bromophenyl)methyl]-2-(cyclopropylmethyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-[(2-bromophenyl)methyl]-2-(cyclopropylmethyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
PubChem CID135864110
Molecular FormulaC18H20BrN3O
Molecular Weight374.28 g/mol
Exact Mass373.08
IUPAC Name7-[(2-bromophenyl)methyl]-2-(cyclopropylmethyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESO=c1[nH]c(CC2CC2)nc2c1CCN(Cc1ccccc1Br)C2
InChIInChI=1S/C18H20BrN3O/c19-15-4-2-1-3-13(15)10-22-8-7-14-16(11-22)20-17(21-18(14)23)9-12-5-6-12/h1-4,12H,5-11H2,(H,20,21,23)
InChIKeySIWKMUZKNXCZRE-UHFFFAOYSA-N
XLogP3.04
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.28
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 7-[(2-bromophenyl)methyl]-2-(cyclopropylmethyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one with MolForge

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Related Compounds

2-(cyclopropylmethyl)-7-[(2,3-difluorophenyl)methyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135920416
2-(cyclopropylmethyl)-7-[[2-(trifluoromethoxy)phenyl]methyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135864909
2-(cyclopropylmethyl)-7-(pyridin-2-ylmethyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135867230
2-(cyclopropylmethyl)-7-[(2,3,4-trifluorophenyl)methyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135920276
7-[(2-hydroxyphenyl)methyl]-2-propyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135865973
2-(cyclopropylmethyl)-7-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135865707
6-[(2-bromophenyl)methyl]-2-(trifluoromethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135917390
2-cyclohexyl-7-[(2-hydroxyphenyl)methyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135865980
2-methyl-7-[(2-methylsulfanylphenyl)methyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135864862
2,7-dibenzyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 137286146
7-[(2-bromo-4-methylphenyl)methyl]-2-phenyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135864087
2-cyclopropyl-7-[[2-(trifluoromethyl)phenyl]methyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135864916

Frequently Asked Questions

What is the IUPAC name of 7-[(2-bromophenyl)methyl]-2-(cyclopropylmethyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 7-[(2-bromophenyl)methyl]-2-(cyclopropylmethyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (CID 135864110) is 7-[(2-bromophenyl)methyl]-2-(cyclopropylmethyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 7-[(2-bromophenyl)methyl]-2-(cyclopropylmethyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 7-[(2-bromophenyl)methyl]-2-(cyclopropylmethyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is O=c1[nH]c(CC2CC2)nc2c1CCN(Cc1ccccc1Br)C2.
What is the InChIKey of 7-[(2-bromophenyl)methyl]-2-(cyclopropylmethyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The InChIKey is SIWKMUZKNXCZRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrN3O/c19-15-4-2-1-3-13(15)10-22-8-7-14-16(11-22)20-17(21-18(14)23)9-12-5-6-12/h1-4,12H,5-11H2,(H,20,21,23).
What are the key properties of 7-[(2-bromophenyl)methyl]-2-(cyclopropylmethyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
7-[(2-bromophenyl)methyl]-2-(cyclopropylmethyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one has a molecular weight of 374.28 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2-bromophenyl)methyl]-2-(cyclopropylmethyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 135864110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).