6-amino-5-(hydroxymethyl)-1H-pyrimidin-2-one;1-methyl-7H-purin-6-imine

C11H14N8O2 — CID 135815815

IUPAC6-amino-5-(hydroxymethyl)-1H-pyrimidin-2-one;1-methyl-7H-purin-6-imine
SMILESNc1[nH]c(=O)ncc1CO.[H]/N=c1/c2[nH]cnc2ncn1C
InChIInChI=1S/C6H7N5.C5H7N3O2/c1-11-3-10-6-4(5(11)7)8-2-9-6;6-4-3(2-9)1-7-5(10)8-4/h2-3,7H,1H3,(H,8,9);1,9H,2H2,(H3,6,7,8,10)/b7-5-;
InChIKeyYTUSDVAQMPOXHN-YJOCEBFMSA-N
MW290.29 g/mol
LogP-1.38
Rot. Bonds1

About 6-amino-5-(hydroxymethyl)-1H-pyrimidin-2-one;1-methyl-7H-purin-6-imine

6-amino-5-(hydroxymethyl)-1H-pyrimidin-2-one;1-methyl-7H-purin-6-imine (PubChem CID 135815815) has the molecular formula C11H14N8O2 and a molecular weight of 290.29 g/mol. Its IUPAC name is 6-amino-5-(hydroxymethyl)-1H-pyrimidin-2-one;1-methyl-7H-purin-6-imine.

Molecular Properties

Compound Name6-amino-5-(hydroxymethyl)-1H-pyrimidin-2-one;1-methyl-7H-purin-6-imine
PubChem CID135815815
Molecular FormulaC11H14N8O2
Molecular Weight290.29 g/mol
Exact Mass290.12
IUPAC Name6-amino-5-(hydroxymethyl)-1H-pyrimidin-2-one;1-methyl-7H-purin-6-imine
SMILESNc1[nH]c(=O)ncc1CO.[H]/N=c1/c2[nH]cnc2ncn1C
InChIInChI=1S/C6H7N5.C5H7N3O2/c1-11-3-10-6-4(5(11)7)8-2-9-6;6-4-3(2-9)1-7-5(10)8-4/h2-3,7H,1H3,(H,8,9);1,9H,2H2,(H3,6,7,8,10)/b7-5-;
InChIKeyYTUSDVAQMPOXHN-YJOCEBFMSA-N
XLogP-1.38
TPSA162.35 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 5-1.38
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

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Related Compounds

1-(trideuterio(113C)methyl)-7H-purin-6-imine
CID 169443101
6-amino-5-(hydroxymethyl)-1H-pyrimidin-2-one;phosphoric acid
CID 175506066
6-imino-1-methyl-7,9-dihydropurin-8-one
CID 135463572
2-hydroxy-3-(6-imino-7H-purin-1-yl)propanoic acid
CID 136704244
1-ethyl-6-imino-3-methyl-7H-purin-2-one
CID 137197584
(2R,3S,4S,5R)-2-(hydroxymethyl)-5-(6-imino-7H-purin-1-yl)oxolane-3,4-diol
CID 135506513
6-amino-1,7-dihydropurin-2-one;hydrochloride
CID 67634855
3-(1-amino-6-imino-7H-purin-2-yl)propan-1-ol
CID 141391153
6-amino-5-(4-aminobut-2-enyl)-1H-pyrimidin-2-one
CID 56981499
1-oxido-7H-purin-6-one
CID 71438070
[(2S,6S)-2-(6-imino-7H-purin-1-yl)-3,6-dihydro-2H-pyran-6-yl]methanol
CID 135856465
(3S,4R,6R)-4-amino-6-(6-imino-7H-purin-1-yl)oxan-3-ol
CID 136675495

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-(hydroxymethyl)-1H-pyrimidin-2-one;1-methyl-7H-purin-6-imine?
The IUPAC name of 6-amino-5-(hydroxymethyl)-1H-pyrimidin-2-one;1-methyl-7H-purin-6-imine (CID 135815815) is 6-amino-5-(hydroxymethyl)-1H-pyrimidin-2-one;1-methyl-7H-purin-6-imine.
What is the SMILES notation for 6-amino-5-(hydroxymethyl)-1H-pyrimidin-2-one;1-methyl-7H-purin-6-imine?
The canonical SMILES for 6-amino-5-(hydroxymethyl)-1H-pyrimidin-2-one;1-methyl-7H-purin-6-imine is Nc1[nH]c(=O)ncc1CO.[H]/N=c1/c2[nH]cnc2ncn1C.
What is the InChIKey of 6-amino-5-(hydroxymethyl)-1H-pyrimidin-2-one;1-methyl-7H-purin-6-imine?
The InChIKey is YTUSDVAQMPOXHN-YJOCEBFMSA-N. The full InChI is InChI=1S/C6H7N5.C5H7N3O2/c1-11-3-10-6-4(5(11)7)8-2-9-6;6-4-3(2-9)1-7-5(10)8-4/h2-3,7H,1H3,(H,8,9);1,9H,2H2,(H3,6,7,8,10)/b7-5-;.
What are the key properties of 6-amino-5-(hydroxymethyl)-1H-pyrimidin-2-one;1-methyl-7H-purin-6-imine?
6-amino-5-(hydroxymethyl)-1H-pyrimidin-2-one;1-methyl-7H-purin-6-imine has a molecular weight of 290.29 g/mol, XLogP of -1.38, 1 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-(hydroxymethyl)-1H-pyrimidin-2-one;1-methyl-7H-purin-6-imine is sourced from PubChem (CID 135815815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).