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

C14H12BrN5O — CID 135925123

IUPAC2-amino-5-(4-bromophenyl)-7-imino-8-methyl-3H-pyrido[2,3-d]pyrimidin-4-one
SMILES[H]/N=c1\cc(-c2ccc(Br)cc2)c2c(=O)[nH]c(N)nc2n1C
InChIInChI=1S/C14H12BrN5O/c1-20-10(16)6-9(7-2-4-8(15)5-3-7)11-12(20)18-14(17)19-13(11)21/h2-6,16H,1H3,(H3,17,18,19,21)/b16-10+
InChIKeyPZPGRXZPDKGWJI-MHWRWJLKSA-N
MW346.19 g/mol
LogP1.75
Rot. Bonds1

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

2-amino-5-(4-bromophenyl)-7-imino-8-methyl-3H-pyrido[2,3-d]pyrimidin-4-one (PubChem CID 135925123) has the molecular formula C14H12BrN5O and a molecular weight of 346.19 g/mol. Its IUPAC name is 2-amino-5-(4-bromophenyl)-7-imino-8-methyl-3H-pyrido[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-amino-5-(4-bromophenyl)-7-imino-8-methyl-3H-pyrido[2,3-d]pyrimidin-4-one
PubChem CID135925123
Molecular FormulaC14H12BrN5O
Molecular Weight346.19 g/mol
Exact Mass345.02
IUPAC Name2-amino-5-(4-bromophenyl)-7-imino-8-methyl-3H-pyrido[2,3-d]pyrimidin-4-one
SMILES[H]/N=c1\cc(-c2ccc(Br)cc2)c2c(=O)[nH]c(N)nc2n1C
InChIInChI=1S/C14H12BrN5O/c1-20-10(16)6-9(7-2-4-8(15)5-3-7)11-12(20)18-14(17)19-13(11)21/h2-6,16H,1H3,(H3,17,18,19,21)/b16-10+
InChIKeyPZPGRXZPDKGWJI-MHWRWJLKSA-N
XLogP1.75
TPSA100.55 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.19
LogP ≤ 51.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(4-bromophenyl)-7-imino-8-methyl-3H-pyrido[2,3-d]pyrimidin-4-one?
The IUPAC name of 2-amino-5-(4-bromophenyl)-7-imino-8-methyl-3H-pyrido[2,3-d]pyrimidin-4-one (CID 135925123) is 2-amino-5-(4-bromophenyl)-7-imino-8-methyl-3H-pyrido[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-amino-5-(4-bromophenyl)-7-imino-8-methyl-3H-pyrido[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2-amino-5-(4-bromophenyl)-7-imino-8-methyl-3H-pyrido[2,3-d]pyrimidin-4-one is [H]/N=c1\cc(-c2ccc(Br)cc2)c2c(=O)[nH]c(N)nc2n1C.
What is the InChIKey of 2-amino-5-(4-bromophenyl)-7-imino-8-methyl-3H-pyrido[2,3-d]pyrimidin-4-one?
The InChIKey is PZPGRXZPDKGWJI-MHWRWJLKSA-N. The full InChI is InChI=1S/C14H12BrN5O/c1-20-10(16)6-9(7-2-4-8(15)5-3-7)11-12(20)18-14(17)19-13(11)21/h2-6,16H,1H3,(H3,17,18,19,21)/b16-10+.
What are the key properties of 2-amino-5-(4-bromophenyl)-7-imino-8-methyl-3H-pyrido[2,3-d]pyrimidin-4-one?
2-amino-5-(4-bromophenyl)-7-imino-8-methyl-3H-pyrido[2,3-d]pyrimidin-4-one has a molecular weight of 346.19 g/mol, XLogP of 1.75, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(4-bromophenyl)-7-imino-8-methyl-3H-pyrido[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 135925123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).