5-amino-4-[[1-(hydroxymethyl)cyclobutyl]amino]-1H-pyrimidin-6-one

C9H14N4O2 — CID 136977384

IUPAC5-amino-4-[[1-(hydroxymethyl)cyclobutyl]amino]-1H-pyrimidin-6-one
SMILESNc1c(NC2(CO)CCC2)nc[nH]c1=O
InChIInChI=1S/C9H14N4O2/c10-6-7(11-5-12-8(6)15)13-9(4-14)2-1-3-9/h5,14H,1-4,10H2,(H2,11,12,13,15)
InChIKeyHOWRVBODXLOICO-UHFFFAOYSA-N
MW210.24 g/mol
LogP-0.32
Rot. Bonds3

About 5-amino-4-[[1-(hydroxymethyl)cyclobutyl]amino]-1H-pyrimidin-6-one

5-amino-4-[[1-(hydroxymethyl)cyclobutyl]amino]-1H-pyrimidin-6-one (PubChem CID 136977384) has the molecular formula C9H14N4O2 and a molecular weight of 210.24 g/mol. Its IUPAC name is 5-amino-4-[[1-(hydroxymethyl)cyclobutyl]amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-[[1-(hydroxymethyl)cyclobutyl]amino]-1H-pyrimidin-6-one
PubChem CID136977384
Molecular FormulaC9H14N4O2
Molecular Weight210.24 g/mol
Exact Mass210.11
IUPAC Name5-amino-4-[[1-(hydroxymethyl)cyclobutyl]amino]-1H-pyrimidin-6-one
SMILESNc1c(NC2(CO)CCC2)nc[nH]c1=O
InChIInChI=1S/C9H14N4O2/c10-6-7(11-5-12-8(6)15)13-9(4-14)2-1-3-9/h5,14H,1-4,10H2,(H2,11,12,13,15)
InChIKeyHOWRVBODXLOICO-UHFFFAOYSA-N
XLogP-0.32
TPSA104.03 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 5-0.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-9-[1-(hydroxymethyl)cyclobutyl]-7,8-dihydro-1H-purin-6-one
CID 136460927
5-amino-4-[[4-(hydroxymethyl)oxan-4-yl]amino]-1H-pyrimidin-6-one
CID 136730463
5-amino-4-[(1-hydroxy-3-methylpentan-3-yl)amino]-1H-pyrimidin-6-one
CID 136849671
5-amino-4-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-1H-pyrimidin-6-one
CID 136866835
5-amino-4-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]-1H-pyrimidin-6-one
CID 136871937
5-amino-4-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-1H-pyrimidin-6-one
CID 136949433
4-[[1-(hydroxymethyl)cyclobutyl]amino]-5-iodo-1H-pyrimidin-6-one
CID 136957308
5-bromo-4-[[1-(hydroxymethyl)cyclobutyl]amino]-1H-pyrimidin-6-one
CID 136957310
4-[[1-(hydroxymethyl)cyclobutyl]amino]-1H-pyrimidin-6-one
CID 136957311
1-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]cyclobutane-1-carboxylic acid
CID 136959378
5-amino-4-(1-hydroxybutan-2-ylamino)-1H-pyrimidin-6-one
CID 136973934
5-amino-4-[(1-hydroxy-4-methylpentan-2-yl)amino]-1H-pyrimidin-6-one
CID 136974654

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-[[1-(hydroxymethyl)cyclobutyl]amino]-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-[[1-(hydroxymethyl)cyclobutyl]amino]-1H-pyrimidin-6-one (CID 136977384) is 5-amino-4-[[1-(hydroxymethyl)cyclobutyl]amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-[[1-(hydroxymethyl)cyclobutyl]amino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-[[1-(hydroxymethyl)cyclobutyl]amino]-1H-pyrimidin-6-one is Nc1c(NC2(CO)CCC2)nc[nH]c1=O.
What is the InChIKey of 5-amino-4-[[1-(hydroxymethyl)cyclobutyl]amino]-1H-pyrimidin-6-one?
The InChIKey is HOWRVBODXLOICO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2/c10-6-7(11-5-12-8(6)15)13-9(4-14)2-1-3-9/h5,14H,1-4,10H2,(H2,11,12,13,15).
What are the key properties of 5-amino-4-[[1-(hydroxymethyl)cyclobutyl]amino]-1H-pyrimidin-6-one?
5-amino-4-[[1-(hydroxymethyl)cyclobutyl]amino]-1H-pyrimidin-6-one has a molecular weight of 210.24 g/mol, XLogP of -0.32, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-[[1-(hydroxymethyl)cyclobutyl]amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136977384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).