2-amino-6-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-4-methyl-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one

C13H13F3N6O — CID 162600258

About 2-amino-6-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-4-methyl-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one

2-amino-6-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-4-methyl-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 162600258) has the molecular formula C13H13F3N6O and a molecular weight of 326.28 g/mol. Its IUPAC name is 2-amino-6-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-4-methyl-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

• Compound Name: 2-amino-6-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-4-methyl-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one
• PubChem CID: 162600258
• Molecular Formula: C13H13F3N6O
• Molecular Weight: 326.28 g/mol
• Exact Mass: 326.11
• IUPAC Name: 2-amino-6-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-4-methyl-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one
• SMILES: [H]/N=C/C(=C\N)c1cc2c(C)nc(N)nc2n(CC(F)(F)F)c1=O
• InChI: InChI=1S/C13H13F3N6O/c1-6-8-2-9(7(3-17)4-18)11(23)22(5-13(14,15)16)10(8)21-12(19)20-6/h2-4,17H,5,18H2,1H3,(H2,19,20,21)/b7-4+,17-3+
• InChIKey: DPHHGOWOYZOPOD-YGWWSTHBSA-N
• XLogP: 1.19
• TPSA: 123.67 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	326.28
LogP ≤ 5	1.19
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-4-methyl-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one?

The IUPAC name of 2-amino-6-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-4-methyl-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one (CID 162600258) is 2-amino-6-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-4-methyl-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one.

What is the SMILES notation for 2-amino-6-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-4-methyl-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one?

The canonical SMILES for 2-amino-6-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-4-methyl-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one is [H]/N=C/C(=C\N)c1cc2c(C)nc(N)nc2n(CC(F)(F)F)c1=O.

What is the InChIKey of 2-amino-6-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-4-methyl-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one?

The InChIKey is DPHHGOWOYZOPOD-YGWWSTHBSA-N. The full InChI is InChI=1S/C13H13F3N6O/c1-6-8-2-9(7(3-17)4-18)11(23)22(5-13(14,15)16)10(8)21-12(19)20-6/h2-4,17H,5,18H2,1H3,(H2,19,20,21)/b7-4+,17-3+.

What are the key properties of 2-amino-6-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-4-methyl-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one?

2-amino-6-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-4-methyl-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 326.28 g/mol, XLogP of 1.19, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-6-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-4-methyl-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 162600258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).