5-(hydroxymethylamino)-1-methylpyrimidine-2,4-dione

C6H9N3O3 — CID 129289795

IUPAC5-(hydroxymethylamino)-1-methylpyrimidine-2,4-dione
SMILESCn1cc(NCO)c(=O)[nH]c1=O
InChIInChI=1S/C6H9N3O3/c1-9-2-4(7-3-10)5(11)8-6(9)12/h2,7,10H,3H2,1H3,(H,8,11,12)
InChIKeyDVQPFKAMZYHJGI-UHFFFAOYSA-N
MW171.16 g/mol
LogP-1.56
Rot. Bonds2

About 5-(hydroxymethylamino)-1-methylpyrimidine-2,4-dione

5-(hydroxymethylamino)-1-methylpyrimidine-2,4-dione (PubChem CID 129289795) has the molecular formula C6H9N3O3 and a molecular weight of 171.16 g/mol. Its IUPAC name is 5-(hydroxymethylamino)-1-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-(hydroxymethylamino)-1-methylpyrimidine-2,4-dione
PubChem CID129289795
Molecular FormulaC6H9N3O3
Molecular Weight171.16 g/mol
Exact Mass171.06
IUPAC Name5-(hydroxymethylamino)-1-methylpyrimidine-2,4-dione
SMILESCn1cc(NCO)c(=O)[nH]c1=O
InChIInChI=1S/C6H9N3O3/c1-9-2-4(7-3-10)5(11)8-6(9)12/h2,7,10H,3H2,1H3,(H,8,11,12)
InChIKeyDVQPFKAMZYHJGI-UHFFFAOYSA-N
XLogP-1.56
TPSA87.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.16
LogP ≤ 5-1.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

5-Aminouracil
CID 13611
5-[Bis(2-hydroxyethyl)amino]pyrimidine-2,4(1h,3h)-dione
CID 241440
5-Amino-1-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 265774
5-(Dimethylamino)uracil
CID 255552
5-Amino-1,3-dimethyl-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 250711
N-(2,4-dioxo-1H-pyrimidin-5-yl)acetamide
CID 348854
5-[(2-hydroxypropyl)amino]pyrimidine-2,4(1H,3H)-dione
CID 16474434
5-[(2-hydroxyethyl)(methyl)amino]pyrimidine-2,4(1H,3H)-dione
CID 7373407
5-((2-hydroxyethyl)amino)pyrimidine-2,4(1H,3H)-dione
CID 236131
5-Methylaminouracil
CID 255550
5-Ureido-uracil
CID 45064263
n3-Methyl-5-methylaminouracil
CID 67427146

Frequently Asked Questions

What is the IUPAC name of 5-(hydroxymethylamino)-1-methylpyrimidine-2,4-dione?
The IUPAC name of 5-(hydroxymethylamino)-1-methylpyrimidine-2,4-dione (CID 129289795) is 5-(hydroxymethylamino)-1-methylpyrimidine-2,4-dione.
What is the SMILES notation for 5-(hydroxymethylamino)-1-methylpyrimidine-2,4-dione?
The canonical SMILES for 5-(hydroxymethylamino)-1-methylpyrimidine-2,4-dione is Cn1cc(NCO)c(=O)[nH]c1=O.
What is the InChIKey of 5-(hydroxymethylamino)-1-methylpyrimidine-2,4-dione?
The InChIKey is DVQPFKAMZYHJGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O3/c1-9-2-4(7-3-10)5(11)8-6(9)12/h2,7,10H,3H2,1H3,(H,8,11,12).
What are the key properties of 5-(hydroxymethylamino)-1-methylpyrimidine-2,4-dione?
5-(hydroxymethylamino)-1-methylpyrimidine-2,4-dione has a molecular weight of 171.16 g/mol, XLogP of -1.56, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethylamino)-1-methylpyrimidine-2,4-dione is sourced from PubChem (CID 129289795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).