3-[(2-amino-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-6-bromochromen-4-one

C17H15BrN4O2 — CID 24910446

IUPAC3-[(2-amino-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-6-bromochromen-4-one
SMILESNc1ncc2c(n1)CCN(Cc1coc3ccc(Br)cc3c1=O)C2
InChIInChI=1S/C17H15BrN4O2/c18-12-1-2-15-13(5-12)16(23)11(9-24-15)8-22-4-3-14-10(7-22)6-20-17(19)21-14/h1-2,5-6,9H,3-4,7-8H2,(H2,19,20,21)
InChIKeyOKSVDPUTJNHQBN-UHFFFAOYSA-N
MW387.24 g/mol
LogP2.49
Rot. Bonds2

About 3-[(2-amino-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-6-bromochromen-4-one

3-[(2-amino-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-6-bromochromen-4-one (PubChem CID 24910446) has the molecular formula C17H15BrN4O2 and a molecular weight of 387.24 g/mol. Its IUPAC name is 3-[(2-amino-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-6-bromochromen-4-one.

Molecular Properties

Compound Name3-[(2-amino-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-6-bromochromen-4-one
PubChem CID24910446
Molecular FormulaC17H15BrN4O2
Molecular Weight387.24 g/mol
Exact Mass386.04
IUPAC Name3-[(2-amino-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-6-bromochromen-4-one
SMILESNc1ncc2c(n1)CCN(Cc1coc3ccc(Br)cc3c1=O)C2
InChIInChI=1S/C17H15BrN4O2/c18-12-1-2-15-13(5-12)16(23)11(9-24-15)8-22-4-3-14-10(7-22)6-20-17(19)21-14/h1-2,5-6,9H,3-4,7-8H2,(H2,19,20,21)
InChIKeyOKSVDPUTJNHQBN-UHFFFAOYSA-N
XLogP2.49
TPSA85.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.24
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[(2-amino-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-6-bromochromen-4-one with MolForge

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Related Compounds

6-bromo-3-[(2-cyclohexyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]chromen-4-one
CID 24910457
2-(4-aminophenyl)-6-[(6-bromo-4-oxochromen-3-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135862725
6-methyl-3-[(2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]chromen-4-one
CID 24909907
3-[(2-tert-butyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-6-propan-2-ylchromen-4-one
CID 24910526
6-nitro-3-[[2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]chromen-4-one
CID 24910548
2-amino-6-[(4-oxochromen-3-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135861400
6-[(2-chloro-3-pyridinyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
CID 24911370
6-[[2-(trifluoromethyl)phenyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
CID 24929895
2-amino-6-[(6-nitro-4-oxochromen-3-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135942147
3-[(2-amino-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-2-chlorophenol
CID 24929118
6-[(3-bromo-1-benzothiophen-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
CID 24910950
5-[(2-amino-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,3-thiazol-2-amine
CID 24912252

Frequently Asked Questions

What is the IUPAC name of 3-[(2-amino-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-6-bromochromen-4-one?
The IUPAC name of 3-[(2-amino-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-6-bromochromen-4-one (CID 24910446) is 3-[(2-amino-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-6-bromochromen-4-one.
What is the SMILES notation for 3-[(2-amino-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-6-bromochromen-4-one?
The canonical SMILES for 3-[(2-amino-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-6-bromochromen-4-one is Nc1ncc2c(n1)CCN(Cc1coc3ccc(Br)cc3c1=O)C2.
What is the InChIKey of 3-[(2-amino-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-6-bromochromen-4-one?
The InChIKey is OKSVDPUTJNHQBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN4O2/c18-12-1-2-15-13(5-12)16(23)11(9-24-15)8-22-4-3-14-10(7-22)6-20-17(19)21-14/h1-2,5-6,9H,3-4,7-8H2,(H2,19,20,21).
What are the key properties of 3-[(2-amino-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-6-bromochromen-4-one?
3-[(2-amino-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-6-bromochromen-4-one has a molecular weight of 387.24 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-amino-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-6-bromochromen-4-one is sourced from PubChem (CID 24910446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).