7-amino-5-chloro-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione

C9H9ClN4O2 — CID 10538050

IUPAC7-amino-5-chloro-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
SMILESCn1c(=O)c2c(Cl)cc(N)nc2n(C)c1=O
InChIInChI=1S/C9H9ClN4O2/c1-13-7-6(4(10)3-5(11)12-7)8(15)14(2)9(13)16/h3H,1-2H3,(H2,11,12)
InChIKeyGWTOPUOBXVPZJC-UHFFFAOYSA-N
MW240.65 g/mol
LogP-0.13
Rot. Bonds

About 7-amino-5-chloro-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione

7-amino-5-chloro-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 10538050) has the molecular formula C9H9ClN4O2 and a molecular weight of 240.65 g/mol. Its IUPAC name is 7-amino-5-chloro-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name7-amino-5-chloro-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID10538050
Molecular FormulaC9H9ClN4O2
Molecular Weight240.65 g/mol
Exact Mass240.04
IUPAC Name7-amino-5-chloro-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
SMILESCn1c(=O)c2c(Cl)cc(N)nc2n(C)c1=O
InChIInChI=1S/C9H9ClN4O2/c1-13-7-6(4(10)3-5(11)12-7)8(15)14(2)9(13)16/h3H,1-2H3,(H2,11,12)
InChIKeyGWTOPUOBXVPZJC-UHFFFAOYSA-N
XLogP-0.13
TPSA82.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.65
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

7-amino-5-anilino-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 2786085
5-amino-2,4,7,9-tetramethylpyrimido[4,5-h][1,6]naphthyridine-8,10-dione
CID 46872676
5-bromo-6-chloro-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 114764119
5-amino-1,3-dimethylimidazo[4,5-b]pyridin-2-one
CID 853567
5,7-dichloro-1,3,8-trimethylpyrido[2,3-d]pyrimidin-8-ium-2,4-dione
CID 2785884
5,6,7,8-tetrafluoro-1,3-dimethylpyrimido[4,5-b]quinoline-2,4-dione
CID 57207604
13,15-dimethyl-13,15,17-triazatricyclo[8.7.1.011,16]octadeca-1(17),10(18),11(16)-triene-12,14-dione
CID 15882302
6-bromo-5-chloro-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 15141673
3-chloro-5,7-dimethylimidazo[4,5-c]pyridazin-6-one
CID 117272908
1,3-dimethyl-5-phenyl-7-thiophen-2-ylpyrido[2,3-d]pyrimidine-2,4-dione
CID 39895811
5,7,12-trimethyl-1,5,7,9-tetrazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraene-2,4,6-trione
CID 13142789
2-(4-chlorophenyl)-5,7-dimethyl-5,7,9-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,8,11,13,15-hexaene-4,6,17-trione
CID 4860583

Frequently Asked Questions

What is the IUPAC name of 7-amino-5-chloro-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 7-amino-5-chloro-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione (CID 10538050) is 7-amino-5-chloro-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 7-amino-5-chloro-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 7-amino-5-chloro-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione is Cn1c(=O)c2c(Cl)cc(N)nc2n(C)c1=O.
What is the InChIKey of 7-amino-5-chloro-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is GWTOPUOBXVPZJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN4O2/c1-13-7-6(4(10)3-5(11)12-7)8(15)14(2)9(13)16/h3H,1-2H3,(H2,11,12).
What are the key properties of 7-amino-5-chloro-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione?
7-amino-5-chloro-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 240.65 g/mol, XLogP of -0.13, 0 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-5-chloro-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 10538050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).