4-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-[3-(dimethylamino)-2-methylprop-1-enyl]pyrimidin-2-one

C15H24N4O5 — CID 70569698

About 4-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-[3-(dimethylamino)-2-methylprop-1-enyl]pyrimidin-2-one

4-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-[3-(dimethylamino)-2-methylprop-1-enyl]pyrimidin-2-one (PubChem CID 70569698) has the molecular formula C15H24N4O5 and a molecular weight of 340.38 g/mol. Its IUPAC name is 4-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-[3-(dimethylamino)-2-methylprop-1-enyl]pyrimidin-2-one.

Molecular Properties

• Compound Name: 4-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-[3-(dimethylamino)-2-methylprop-1-enyl]pyrimidin-2-one
• PubChem CID: 70569698
• Molecular Formula: C15H24N4O5
• Molecular Weight: 340.38 g/mol
• Exact Mass: 340.17
• IUPAC Name: 4-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-[3-(dimethylamino)-2-methylprop-1-enyl]pyrimidin-2-one
• SMILES: CC(=Cc1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)nc1N)CN(C)C
• InChI: InChI=1S/C15H24N4O5/c1-8(5-18(2)3)4-9-6-19(15(23)17-13(9)16)14-12(22)11(21)10(7-20)24-14/h4,6,10-12,14,20-22H,5,7H2,1-3H3,(H2,16,17,23)/t10-,11-,12-,14-/m1/s1
• InChIKey: LRBWUZRGAOHVJG-HKUMRIAESA-N
• XLogP: -1.60
• TPSA: 134.07 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	340.38
LogP ≤ 5	-1.60
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-[3-(dimethylamino)-2-methylprop-1-enyl]pyrimidin-2-one?

The IUPAC name of 4-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-[3-(dimethylamino)-2-methylprop-1-enyl]pyrimidin-2-one (CID 70569698) is 4-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-[3-(dimethylamino)-2-methylprop-1-enyl]pyrimidin-2-one.

What is the SMILES notation for 4-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-[3-(dimethylamino)-2-methylprop-1-enyl]pyrimidin-2-one?

The canonical SMILES for 4-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-[3-(dimethylamino)-2-methylprop-1-enyl]pyrimidin-2-one is CC(=Cc1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)nc1N)CN(C)C.

What is the InChIKey of 4-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-[3-(dimethylamino)-2-methylprop-1-enyl]pyrimidin-2-one?

The InChIKey is LRBWUZRGAOHVJG-HKUMRIAESA-N. The full InChI is InChI=1S/C15H24N4O5/c1-8(5-18(2)3)4-9-6-19(15(23)17-13(9)16)14-12(22)11(21)10(7-20)24-14/h4,6,10-12,14,20-22H,5,7H2,1-3H3,(H2,16,17,23)/t10-,11-,12-,14-/m1/s1.

What are the key properties of 4-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-[3-(dimethylamino)-2-methylprop-1-enyl]pyrimidin-2-one?

4-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-[3-(dimethylamino)-2-methylprop-1-enyl]pyrimidin-2-one has a molecular weight of 340.38 g/mol, XLogP of -1.60, 5 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 4-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-[3-(dimethylamino)-2-methylprop-1-enyl]pyrimidin-2-one is sourced from PubChem (CID 70569698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).