4-amino-6-hydroxy-5-(2-hydroxyethylamino)-3-methyl-1,6-dihydropyrimidin-2-one

C7H14N4O3 — CID 129289829

IUPAC4-amino-6-hydroxy-5-(2-hydroxyethylamino)-3-methyl-1,6-dihydropyrimidin-2-one
SMILESCN1C(=O)NC(O)C(NCCO)=C1N
InChIInChI=1S/C7H14N4O3/c1-11-5(8)4(9-2-3-12)6(13)10-7(11)14/h6,9,12-13H,2-3,8H2,1H3,(H,10,14)
InChIKeyNRYMNNKEGOJQJN-UHFFFAOYSA-N
MW202.21 g/mol
LogP-2.33
Rot. Bonds3

About 4-amino-6-hydroxy-5-(2-hydroxyethylamino)-3-methyl-1,6-dihydropyrimidin-2-one

4-amino-6-hydroxy-5-(2-hydroxyethylamino)-3-methyl-1,6-dihydropyrimidin-2-one (PubChem CID 129289829) has the molecular formula C7H14N4O3 and a molecular weight of 202.21 g/mol. Its IUPAC name is 4-amino-6-hydroxy-5-(2-hydroxyethylamino)-3-methyl-1,6-dihydropyrimidin-2-one.

Molecular Properties

Compound Name4-amino-6-hydroxy-5-(2-hydroxyethylamino)-3-methyl-1,6-dihydropyrimidin-2-one
PubChem CID129289829
Molecular FormulaC7H14N4O3
Molecular Weight202.21 g/mol
Exact Mass202.11
IUPAC Name4-amino-6-hydroxy-5-(2-hydroxyethylamino)-3-methyl-1,6-dihydropyrimidin-2-one
SMILESCN1C(=O)NC(O)C(NCCO)=C1N
InChIInChI=1S/C7H14N4O3/c1-11-5(8)4(9-2-3-12)6(13)10-7(11)14/h6,9,12-13H,2-3,8H2,1H3,(H,10,14)
InChIKeyNRYMNNKEGOJQJN-UHFFFAOYSA-N
XLogP-2.33
TPSA110.85 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 5-2.33
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-6-hydroxy-5-(2-hydroxyethylamino)-3-methyl-1,6-dihydropyrimidin-2-one?
The IUPAC name of 4-amino-6-hydroxy-5-(2-hydroxyethylamino)-3-methyl-1,6-dihydropyrimidin-2-one (CID 129289829) is 4-amino-6-hydroxy-5-(2-hydroxyethylamino)-3-methyl-1,6-dihydropyrimidin-2-one.
What is the SMILES notation for 4-amino-6-hydroxy-5-(2-hydroxyethylamino)-3-methyl-1,6-dihydropyrimidin-2-one?
The canonical SMILES for 4-amino-6-hydroxy-5-(2-hydroxyethylamino)-3-methyl-1,6-dihydropyrimidin-2-one is CN1C(=O)NC(O)C(NCCO)=C1N.
What is the InChIKey of 4-amino-6-hydroxy-5-(2-hydroxyethylamino)-3-methyl-1,6-dihydropyrimidin-2-one?
The InChIKey is NRYMNNKEGOJQJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4O3/c1-11-5(8)4(9-2-3-12)6(13)10-7(11)14/h6,9,12-13H,2-3,8H2,1H3,(H,10,14).
What are the key properties of 4-amino-6-hydroxy-5-(2-hydroxyethylamino)-3-methyl-1,6-dihydropyrimidin-2-one?
4-amino-6-hydroxy-5-(2-hydroxyethylamino)-3-methyl-1,6-dihydropyrimidin-2-one has a molecular weight of 202.21 g/mol, XLogP of -2.33, 3 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-hydroxy-5-(2-hydroxyethylamino)-3-methyl-1,6-dihydropyrimidin-2-one is sourced from PubChem (CID 129289829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).