5-amino-4-(2-methoxyethylamino)-1H-pyrimidin-6-one

C7H12N4O2 — CID 135575674

IUPAC5-amino-4-(2-methoxyethylamino)-1H-pyrimidin-6-one
SMILESCOCCNc1nc[nH]c(=O)c1N
InChIInChI=1S/C7H12N4O2/c1-13-3-2-9-6-5(8)7(12)11-4-10-6/h4H,2-3,8H2,1H3,(H2,9,10,11,12)
InChIKeyLFCDKRXTVXFZOT-UHFFFAOYSA-N
MW184.20 g/mol
LogP-0.59
Rot. Bonds4

About 5-amino-4-(2-methoxyethylamino)-1H-pyrimidin-6-one

5-amino-4-(2-methoxyethylamino)-1H-pyrimidin-6-one (PubChem CID 135575674) has the molecular formula C7H12N4O2 and a molecular weight of 184.20 g/mol. Its IUPAC name is 5-amino-4-(2-methoxyethylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-(2-methoxyethylamino)-1H-pyrimidin-6-one
PubChem CID135575674
Molecular FormulaC7H12N4O2
Molecular Weight184.20 g/mol
Exact Mass184.10
IUPAC Name5-amino-4-(2-methoxyethylamino)-1H-pyrimidin-6-one
SMILESCOCCNc1nc[nH]c(=O)c1N
InChIInChI=1S/C7H12N4O2/c1-13-3-2-9-6-5(8)7(12)11-4-10-6/h4H,2-3,8H2,1H3,(H2,9,10,11,12)
InChIKeyLFCDKRXTVXFZOT-UHFFFAOYSA-N
XLogP-0.59
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.20
LogP ≤ 5-0.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-Amino-6-(ethylamino)-4(3h)-pyrimidinone
CID 135786481
5-amino-4-[2-(2,2-difluoroethoxy)ethylamino]-1H-pyrimidin-6-one
CID 136896830
5-amino-4-[2-(2,2,2-trifluoroethoxy)ethylamino]-1H-pyrimidin-6-one
CID 137016443
5-amino-2-(2-methoxyethylamino)-1H-pyrimidin-6-one
CID 20498580
5-amino-2-(2-ethoxyethylamino)-1H-pyrimidin-6-one
CID 20570042
2,5-Diamino-6-((2-hydroxyethyl)amino)-3-methylpyrimidin-4(3H)-one
CID 70633393
5-amino-4-(propan-2-ylamino)-1H-pyrimidin-6-one
CID 135786483
2,5-Diamino-6-((2-hydroxyethyl)amino)pyrimidin-4(1H)-one
CID 136271499
2-amino-4-(2-methoxyethylamino)-5-nitroso-1H-pyrimidin-6-one
CID 136473819
5-amino-4-[2-(dimethylamino)ethoxy]-1H-pyrimidin-6-one
CID 103241376
5-amino-4-[2-(diethylamino)ethoxy]-1H-pyrimidin-6-one
CID 103241411
2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-(2-methoxyethyl)acetamide
CID 114582478

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(2-methoxyethylamino)-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-(2-methoxyethylamino)-1H-pyrimidin-6-one (CID 135575674) is 5-amino-4-(2-methoxyethylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-(2-methoxyethylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-(2-methoxyethylamino)-1H-pyrimidin-6-one is COCCNc1nc[nH]c(=O)c1N.
What is the InChIKey of 5-amino-4-(2-methoxyethylamino)-1H-pyrimidin-6-one?
The InChIKey is LFCDKRXTVXFZOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O2/c1-13-3-2-9-6-5(8)7(12)11-4-10-6/h4H,2-3,8H2,1H3,(H2,9,10,11,12).
What are the key properties of 5-amino-4-(2-methoxyethylamino)-1H-pyrimidin-6-one?
5-amino-4-(2-methoxyethylamino)-1H-pyrimidin-6-one has a molecular weight of 184.20 g/mol, XLogP of -0.59, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(2-methoxyethylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 135575674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).