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

C16H15BrN4O2 — CID 139235463

IUPAC6-acetyl-2-amino-5-(3-bromophenyl)-7-methyl-5,8-dihydro-3H-pyrido[2,3-d]pyrimidin-4-one
SMILESCC(=O)C1=C(C)Nc2nc(N)[nH]c(=O)c2C1c1cccc(Br)c1
InChIInChI=1S/C16H15BrN4O2/c1-7-11(8(2)22)12(9-4-3-5-10(17)6-9)13-14(19-7)20-16(18)21-15(13)23/h3-6,12H,1-2H3,(H4,18,19,20,21,23)
InChIKeyMIHFLANJIASXPE-UHFFFAOYSA-N
MW375.23 g/mol
LogP2.54
Rot. Bonds2

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

6-acetyl-2-amino-5-(3-bromophenyl)-7-methyl-5,8-dihydro-3H-pyrido[2,3-d]pyrimidin-4-one (PubChem CID 139235463) has the molecular formula C16H15BrN4O2 and a molecular weight of 375.23 g/mol. Its IUPAC name is 6-acetyl-2-amino-5-(3-bromophenyl)-7-methyl-5,8-dihydro-3H-pyrido[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-acetyl-2-amino-5-(3-bromophenyl)-7-methyl-5,8-dihydro-3H-pyrido[2,3-d]pyrimidin-4-one
PubChem CID139235463
Molecular FormulaC16H15BrN4O2
Molecular Weight375.23 g/mol
Exact Mass374.04
IUPAC Name6-acetyl-2-amino-5-(3-bromophenyl)-7-methyl-5,8-dihydro-3H-pyrido[2,3-d]pyrimidin-4-one
SMILESCC(=O)C1=C(C)Nc2nc(N)[nH]c(=O)c2C1c1cccc(Br)c1
InChIInChI=1S/C16H15BrN4O2/c1-7-11(8(2)22)12(9-4-3-5-10(17)6-9)13-14(19-7)20-16(18)21-15(13)23/h3-6,12H,1-2H3,(H4,18,19,20,21,23)
InChIKeyMIHFLANJIASXPE-UHFFFAOYSA-N
XLogP2.54
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.23
LogP ≤ 52.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-acetyl-2-amino-5-(3-bromophenyl)-7-methyl-5,8-dihydro-3H-pyrido[2,3-d]pyrimidin-4-one?
The IUPAC name of 6-acetyl-2-amino-5-(3-bromophenyl)-7-methyl-5,8-dihydro-3H-pyrido[2,3-d]pyrimidin-4-one (CID 139235463) is 6-acetyl-2-amino-5-(3-bromophenyl)-7-methyl-5,8-dihydro-3H-pyrido[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 6-acetyl-2-amino-5-(3-bromophenyl)-7-methyl-5,8-dihydro-3H-pyrido[2,3-d]pyrimidin-4-one?
The canonical SMILES for 6-acetyl-2-amino-5-(3-bromophenyl)-7-methyl-5,8-dihydro-3H-pyrido[2,3-d]pyrimidin-4-one is CC(=O)C1=C(C)Nc2nc(N)[nH]c(=O)c2C1c1cccc(Br)c1.
What is the InChIKey of 6-acetyl-2-amino-5-(3-bromophenyl)-7-methyl-5,8-dihydro-3H-pyrido[2,3-d]pyrimidin-4-one?
The InChIKey is MIHFLANJIASXPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN4O2/c1-7-11(8(2)22)12(9-4-3-5-10(17)6-9)13-14(19-7)20-16(18)21-15(13)23/h3-6,12H,1-2H3,(H4,18,19,20,21,23).
What are the key properties of 6-acetyl-2-amino-5-(3-bromophenyl)-7-methyl-5,8-dihydro-3H-pyrido[2,3-d]pyrimidin-4-one?
6-acetyl-2-amino-5-(3-bromophenyl)-7-methyl-5,8-dihydro-3H-pyrido[2,3-d]pyrimidin-4-one has a molecular weight of 375.23 g/mol, XLogP of 2.54, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-acetyl-2-amino-5-(3-bromophenyl)-7-methyl-5,8-dihydro-3H-pyrido[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 139235463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).