5-(4-amino-2-fluoroanilino)-8-methyl-3H-pyrido[2,3-d]pyrimidine-4,7-dione

C14H12FN5O2 — CID 135741654

IUPAC5-(4-amino-2-fluoroanilino)-8-methyl-3H-pyrido[2,3-d]pyrimidine-4,7-dione
SMILESCn1c(=O)cc(Nc2ccc(N)cc2F)c2c(=O)[nH]cnc21
InChIInChI=1S/C14H12FN5O2/c1-20-11(21)5-10(12-13(20)17-6-18-14(12)22)19-9-3-2-7(16)4-8(9)15/h2-6,19H,16H2,1H3,(H,17,18,22)
InChIKeyAPXQESYFQQNXFF-UHFFFAOYSA-N
MW301.28 g/mol
LogP1.09
Rot. Bonds2

About 5-(4-amino-2-fluoroanilino)-8-methyl-3H-pyrido[2,3-d]pyrimidine-4,7-dione

5-(4-amino-2-fluoroanilino)-8-methyl-3H-pyrido[2,3-d]pyrimidine-4,7-dione (PubChem CID 135741654) has the molecular formula C14H12FN5O2 and a molecular weight of 301.28 g/mol. Its IUPAC name is 5-(4-amino-2-fluoroanilino)-8-methyl-3H-pyrido[2,3-d]pyrimidine-4,7-dione.

Molecular Properties

Compound Name5-(4-amino-2-fluoroanilino)-8-methyl-3H-pyrido[2,3-d]pyrimidine-4,7-dione
PubChem CID135741654
Molecular FormulaC14H12FN5O2
Molecular Weight301.28 g/mol
Exact Mass301.10
IUPAC Name5-(4-amino-2-fluoroanilino)-8-methyl-3H-pyrido[2,3-d]pyrimidine-4,7-dione
SMILESCn1c(=O)cc(Nc2ccc(N)cc2F)c2c(=O)[nH]cnc21
InChIInChI=1S/C14H12FN5O2/c1-20-11(21)5-10(12-13(20)17-6-18-14(12)22)19-9-3-2-7(16)4-8(9)15/h2-6,19H,16H2,1H3,(H,17,18,22)
InChIKeyAPXQESYFQQNXFF-UHFFFAOYSA-N
XLogP1.09
TPSA105.80 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.28
LogP ≤ 51.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(4-amino-2-fluoroanilino)-8-methyl-3H-pyrido[2,3-d]pyrimidine-4,7-dione?
The IUPAC name of 5-(4-amino-2-fluoroanilino)-8-methyl-3H-pyrido[2,3-d]pyrimidine-4,7-dione (CID 135741654) is 5-(4-amino-2-fluoroanilino)-8-methyl-3H-pyrido[2,3-d]pyrimidine-4,7-dione.
What is the SMILES notation for 5-(4-amino-2-fluoroanilino)-8-methyl-3H-pyrido[2,3-d]pyrimidine-4,7-dione?
The canonical SMILES for 5-(4-amino-2-fluoroanilino)-8-methyl-3H-pyrido[2,3-d]pyrimidine-4,7-dione is Cn1c(=O)cc(Nc2ccc(N)cc2F)c2c(=O)[nH]cnc21.
What is the InChIKey of 5-(4-amino-2-fluoroanilino)-8-methyl-3H-pyrido[2,3-d]pyrimidine-4,7-dione?
The InChIKey is APXQESYFQQNXFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN5O2/c1-20-11(21)5-10(12-13(20)17-6-18-14(12)22)19-9-3-2-7(16)4-8(9)15/h2-6,19H,16H2,1H3,(H,17,18,22).
What are the key properties of 5-(4-amino-2-fluoroanilino)-8-methyl-3H-pyrido[2,3-d]pyrimidine-4,7-dione?
5-(4-amino-2-fluoroanilino)-8-methyl-3H-pyrido[2,3-d]pyrimidine-4,7-dione has a molecular weight of 301.28 g/mol, XLogP of 1.09, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-amino-2-fluoroanilino)-8-methyl-3H-pyrido[2,3-d]pyrimidine-4,7-dione is sourced from PubChem (CID 135741654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).