N-[[4-(1-fluoro-1-phosphanylethyl)-6-methylpyrimidin-2-yl]methyl]-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide

C20H24FN6O2P — CID 170209703

About N-[[4-(1-fluoro-1-phosphanylethyl)-6-methylpyrimidin-2-yl]methyl]-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide

N-[[4-(1-fluoro-1-phosphanylethyl)-6-methylpyrimidin-2-yl]methyl]-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide (PubChem CID 170209703) has the molecular formula C20H24FN6O2P and a molecular weight of 430.42 g/mol. Its IUPAC name is N-[[4-(1-fluoro-1-phosphanylethyl)-6-methylpyrimidin-2-yl]methyl]-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

• Compound Name: N-[[4-(1-fluoro-1-phosphanylethyl)-6-methylpyrimidin-2-yl]methyl]-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide
• PubChem CID: 170209703
• Molecular Formula: C20H24FN6O2P
• Molecular Weight: 430.42 g/mol
• Exact Mass: 430.17
• IUPAC Name: N-[[4-(1-fluoro-1-phosphanylethyl)-6-methylpyrimidin-2-yl]methyl]-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide
• SMILES: Cc1cc(C(C)(F)P)nc(CNC(=O)c2c(C)oc3ncnc(NC4(C)CC4)c23)n1
• InChI: InChI=1S/C20H24FN6O2P/c1-10-7-12(20(4,21)30)26-13(25-10)8-22-17(28)14-11(2)29-18-15(14)16(23-9-24-18)27-19(3)5-6-19/h7,9H,5-6,8,30H2,1-4H3,(H,22,28)(H,23,24,27)
• InChIKey: VPKWWFQVRHNHLV-UHFFFAOYSA-N
• XLogP: 3.54
• TPSA: 105.83 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	430.42
LogP ≤ 5	3.54
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[[4-(1-fluoro-1-phosphanylethyl)-6-methylpyrimidin-2-yl]methyl]-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide?

The IUPAC name of N-[[4-(1-fluoro-1-phosphanylethyl)-6-methylpyrimidin-2-yl]methyl]-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide (CID 170209703) is N-[[4-(1-fluoro-1-phosphanylethyl)-6-methylpyrimidin-2-yl]methyl]-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide.

What is the SMILES notation for N-[[4-(1-fluoro-1-phosphanylethyl)-6-methylpyrimidin-2-yl]methyl]-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide?

The canonical SMILES for N-[[4-(1-fluoro-1-phosphanylethyl)-6-methylpyrimidin-2-yl]methyl]-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide is Cc1cc(C(C)(F)P)nc(CNC(=O)c2c(C)oc3ncnc(NC4(C)CC4)c23)n1.

What is the InChIKey of N-[[4-(1-fluoro-1-phosphanylethyl)-6-methylpyrimidin-2-yl]methyl]-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide?

The InChIKey is VPKWWFQVRHNHLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN6O2P/c1-10-7-12(20(4,21)30)26-13(25-10)8-22-17(28)14-11(2)29-18-15(14)16(23-9-24-18)27-19(3)5-6-19/h7,9H,5-6,8,30H2,1-4H3,(H,22,28)(H,23,24,27).

What are the key properties of N-[[4-(1-fluoro-1-phosphanylethyl)-6-methylpyrimidin-2-yl]methyl]-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide?

N-[[4-(1-fluoro-1-phosphanylethyl)-6-methylpyrimidin-2-yl]methyl]-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 430.42 g/mol, XLogP of 3.54, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[4-(1-fluoro-1-phosphanylethyl)-6-methylpyrimidin-2-yl]methyl]-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 170209703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).