2,5-diamino-4-methoxy-1H-pyrimidin-6-one

C5H8N4O2 — CID 118167344

IUPAC2,5-diamino-4-methoxy-1H-pyrimidin-6-one
SMILESCOc1nc(N)[nH]c(=O)c1N
InChIInChI=1S/C5H8N4O2/c1-11-4-2(6)3(10)8-5(7)9-4/h6H2,1H3,(H3,7,8,9,10)
InChIKeyGYTAEFSVKBSPSN-UHFFFAOYSA-N
MW156.15 g/mol
LogP-1.06
Rot. Bonds1

About 2,5-diamino-4-methoxy-1H-pyrimidin-6-one

2,5-diamino-4-methoxy-1H-pyrimidin-6-one (PubChem CID 118167344) has the molecular formula C5H8N4O2 and a molecular weight of 156.15 g/mol. Its IUPAC name is 2,5-diamino-4-methoxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2,5-diamino-4-methoxy-1H-pyrimidin-6-one
PubChem CID118167344
Molecular FormulaC5H8N4O2
Molecular Weight156.15 g/mol
Exact Mass156.06
IUPAC Name2,5-diamino-4-methoxy-1H-pyrimidin-6-one
SMILESCOc1nc(N)[nH]c(=O)c1N
InChIInChI=1S/C5H8N4O2/c1-11-4-2(6)3(10)8-5(7)9-4/h6H2,1H3,(H3,7,8,9,10)
InChIKeyGYTAEFSVKBSPSN-UHFFFAOYSA-N
XLogP-1.06
TPSA107.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.15
LogP ≤ 5-1.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-4-methoxy-5-(methylideneamino)-1H-pyrimidin-6-one
CID 89004486
4-methoxy-1H-imidazole-2,5-diamine
CID 69334697
2,5-diamino-4-(ethylamino)-1H-pyrimidin-6-one
CID 137221313
2-amino-1,7-dihydropurin-6-one;methoxymethane
CID 170791174
4,6-dimethoxy-2-methylpyrimidin-5-amine
CID 21239200
sulfurous acid;2,4,5-triamino-1H-pyrimidin-6-one
CID 159585944
2-amino-5-chloro-4-methyl-1H-pyrimidin-6-one
CID 135905258
2-amino-3H-pteridin-4-one;methanamine
CID 146301753
2-amino-8-(2-methoxy-2-methylpropyl)-1,7-dihydropurin-6-one
CID 136680651
2-amino-6-bromo-5-methoxy-3H-quinazolin-4-one;trihydrate
CID 137314152
2-amino-8-(4-amino-2-methoxyphenyl)-1,7-dihydropurin-6-one
CID 136829863
2,5-diamino-4-piperidin-1-yl-1H-pyrimidin-6-one
CID 135850741

Frequently Asked Questions

What is the IUPAC name of 2,5-diamino-4-methoxy-1H-pyrimidin-6-one?
The IUPAC name of 2,5-diamino-4-methoxy-1H-pyrimidin-6-one (CID 118167344) is 2,5-diamino-4-methoxy-1H-pyrimidin-6-one.
What is the SMILES notation for 2,5-diamino-4-methoxy-1H-pyrimidin-6-one?
The canonical SMILES for 2,5-diamino-4-methoxy-1H-pyrimidin-6-one is COc1nc(N)[nH]c(=O)c1N.
What is the InChIKey of 2,5-diamino-4-methoxy-1H-pyrimidin-6-one?
The InChIKey is GYTAEFSVKBSPSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4O2/c1-11-4-2(6)3(10)8-5(7)9-4/h6H2,1H3,(H3,7,8,9,10).
What are the key properties of 2,5-diamino-4-methoxy-1H-pyrimidin-6-one?
2,5-diamino-4-methoxy-1H-pyrimidin-6-one has a molecular weight of 156.15 g/mol, XLogP of -1.06, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diamino-4-methoxy-1H-pyrimidin-6-one is sourced from PubChem (CID 118167344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).