2-amino-4-bromo-5-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one

C8H9BrN4O — CID 13487162

IUPAC2-amino-4-bromo-5-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
SMILESCC1CC(=O)Nc2nc(N)nc(Br)c21
InChIInChI=1S/C8H9BrN4O/c1-3-2-4(14)11-7-5(3)6(9)12-8(10)13-7/h3H,2H2,1H3,(H3,10,11,12,13,14)
InChIKeyBUODBUKRRXHQOI-UHFFFAOYSA-N
MW257.09 g/mol
LogP1.27
Rot. Bonds

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

2-amino-4-bromo-5-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one (PubChem CID 13487162) has the molecular formula C8H9BrN4O and a molecular weight of 257.09 g/mol. Its IUPAC name is 2-amino-4-bromo-5-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-amino-4-bromo-5-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
PubChem CID13487162
Molecular FormulaC8H9BrN4O
Molecular Weight257.09 g/mol
Exact Mass256.00
IUPAC Name2-amino-4-bromo-5-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
SMILESCC1CC(=O)Nc2nc(N)nc(Br)c21
InChIInChI=1S/C8H9BrN4O/c1-3-2-4(14)11-7-5(3)6(9)12-8(10)13-7/h3H,2H2,1H3,(H3,10,11,12,13,14)
InChIKeyBUODBUKRRXHQOI-UHFFFAOYSA-N
XLogP1.27
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.09
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-diamino-6-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
CID 356364
4-amino-5-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
CID 356367
4-Amino-7-oxo-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidine
CID 82414948
4-Amino-2-hydrazino-6-methyl-5,8-dihydropyrido[2,3-d]pyrimidin-7(6H)-one
CID 362169
2-Amino-4-bromo-6-methyl-5,8-dihydropyrido[2,3-d]pyrimidin-7(6H)-one
CID 393785
4-bromo-5-(1,1-difluoroethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
CID 178042534
(5R)-4-bromo-5-(trifluoromethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
CID 178042616
(5R)-4-bromo-5-(difluoromethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
CID 178042638
(5S)-4-bromo-5-(1,1-difluoroethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
CID 178042652
(5S)-4-bromo-5-(trifluoromethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
CID 178042663
(5R)-4-bromo-5-(1,1-difluoroethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
CID 178042676
4-bromo-5-(trifluoromethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
CID 178042813

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-bromo-5-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 2-amino-4-bromo-5-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one (CID 13487162) is 2-amino-4-bromo-5-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 2-amino-4-bromo-5-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 2-amino-4-bromo-5-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one is CC1CC(=O)Nc2nc(N)nc(Br)c21.
What is the InChIKey of 2-amino-4-bromo-5-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is BUODBUKRRXHQOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrN4O/c1-3-2-4(14)11-7-5(3)6(9)12-8(10)13-7/h3H,2H2,1H3,(H3,10,11,12,13,14).
What are the key properties of 2-amino-4-bromo-5-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one?
2-amino-4-bromo-5-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 257.09 g/mol, XLogP of 1.27, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-bromo-5-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 13487162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).