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

C10H16N4O2 — CID 135460856

IUPAC2-amino-4-[[1-(hydroxymethyl)cyclobutyl]methylamino]-1H-pyrimidin-6-one
SMILESNc1nc(NCC2(CO)CCC2)cc(=O)[nH]1
InChIInChI=1S/C10H16N4O2/c11-9-13-7(4-8(16)14-9)12-5-10(6-15)2-1-3-10/h4,15H,1-3,5-6H2,(H4,11,12,13,14,16)
InChIKeyQDGWGQSZYDAIBX-UHFFFAOYSA-N
MW224.26 g/mol
LogP-0.07
Rot. Bonds4

About 2-amino-4-[[1-(hydroxymethyl)cyclobutyl]methylamino]-1H-pyrimidin-6-one

2-amino-4-[[1-(hydroxymethyl)cyclobutyl]methylamino]-1H-pyrimidin-6-one (PubChem CID 135460856) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is 2-amino-4-[[1-(hydroxymethyl)cyclobutyl]methylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-amino-4-[[1-(hydroxymethyl)cyclobutyl]methylamino]-1H-pyrimidin-6-one
PubChem CID135460856
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC Name2-amino-4-[[1-(hydroxymethyl)cyclobutyl]methylamino]-1H-pyrimidin-6-one
SMILESNc1nc(NCC2(CO)CCC2)cc(=O)[nH]1
InChIInChI=1S/C10H16N4O2/c11-9-13-7(4-8(16)14-9)12-5-10(6-15)2-1-3-10/h4,15H,1-3,5-6H2,(H4,11,12,13,14,16)
InChIKeyQDGWGQSZYDAIBX-UHFFFAOYSA-N
XLogP-0.07
TPSA104.03 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 5-0.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[[1-(hydroxymethyl)cyclobutyl]methylamino]-1H-pyrimidin-6-one?
The IUPAC name of 2-amino-4-[[1-(hydroxymethyl)cyclobutyl]methylamino]-1H-pyrimidin-6-one (CID 135460856) is 2-amino-4-[[1-(hydroxymethyl)cyclobutyl]methylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-amino-4-[[1-(hydroxymethyl)cyclobutyl]methylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 2-amino-4-[[1-(hydroxymethyl)cyclobutyl]methylamino]-1H-pyrimidin-6-one is Nc1nc(NCC2(CO)CCC2)cc(=O)[nH]1.
What is the InChIKey of 2-amino-4-[[1-(hydroxymethyl)cyclobutyl]methylamino]-1H-pyrimidin-6-one?
The InChIKey is QDGWGQSZYDAIBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2/c11-9-13-7(4-8(16)14-9)12-5-10(6-15)2-1-3-10/h4,15H,1-3,5-6H2,(H4,11,12,13,14,16).
What are the key properties of 2-amino-4-[[1-(hydroxymethyl)cyclobutyl]methylamino]-1H-pyrimidin-6-one?
2-amino-4-[[1-(hydroxymethyl)cyclobutyl]methylamino]-1H-pyrimidin-6-one has a molecular weight of 224.26 g/mol, XLogP of -0.07, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[[1-(hydroxymethyl)cyclobutyl]methylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 135460856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).