6-(aminomethylamino)-1H-pyrimidin-2-one

C5H8N4O — CID 150921149

IUPAC6-(aminomethylamino)-1H-pyrimidin-2-one
SMILESNCNc1ccnc(=O)[nH]1
InChIInChI=1S/C5H8N4O/c6-3-8-4-1-2-7-5(10)9-4/h1-2H,3,6H2,(H2,7,8,9,10)
InChIKeyLEBBLNARGYNSPH-UHFFFAOYSA-N
MW140.15 g/mol
LogP-0.90
Rot. Bonds2

About 6-(aminomethylamino)-1H-pyrimidin-2-one

6-(aminomethylamino)-1H-pyrimidin-2-one (PubChem CID 150921149) has the molecular formula C5H8N4O and a molecular weight of 140.15 g/mol. Its IUPAC name is 6-(aminomethylamino)-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-(aminomethylamino)-1H-pyrimidin-2-one
PubChem CID150921149
Molecular FormulaC5H8N4O
Molecular Weight140.15 g/mol
Exact Mass140.07
IUPAC Name6-(aminomethylamino)-1H-pyrimidin-2-one
SMILESNCNc1ccnc(=O)[nH]1
InChIInChI=1S/C5H8N4O/c6-3-8-4-1-2-7-5(10)9-4/h1-2H,3,6H2,(H2,7,8,9,10)
InChIKeyLEBBLNARGYNSPH-UHFFFAOYSA-N
XLogP-0.90
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.15
LogP ≤ 5-0.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

6-(methylamino)-1H-pyrimidin-2-one;hydrochloride
CID 21490026
6-(ethynylamino)-1H-pyrimidin-2-one
CID 90023101
(2-oxo-1H-pyrimidin-6-yl)sulfamic acid
CID 66830786
6-[(2E)-2-ethylidenehydrazinyl]-1H-pyrimidin-2-one
CID 15535315
isocyanic acid;(2-oxo-1H-pyrimidin-6-yl)urea
CID 87278758
6-amino-(213C,1,3-15N2)1H-pyrimidin-2-one
CID 71315153
6-[(1,8-diamino-3-oxooctan-2-yl)amino]-1H-pyrimidin-2-one
CID 54446978
N-(2-oxo-1H-pyrimidin-6-yl)prop-2-enamide
CID 151290170
CID 175849131
CID 175849131
N-(2-oxo-1H-pyrimidin-6-yl)-2-propylpentanamide
CID 154512190
heptyl [(2-oxo-1H-pyrimidin-6-yl)amino] carbonate
CID 130409232
6-[[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethylamino]-1H-pyrimidin-2-one
CID 90116262

Frequently Asked Questions

What is the IUPAC name of 6-(aminomethylamino)-1H-pyrimidin-2-one?
The IUPAC name of 6-(aminomethylamino)-1H-pyrimidin-2-one (CID 150921149) is 6-(aminomethylamino)-1H-pyrimidin-2-one.
What is the SMILES notation for 6-(aminomethylamino)-1H-pyrimidin-2-one?
The canonical SMILES for 6-(aminomethylamino)-1H-pyrimidin-2-one is NCNc1ccnc(=O)[nH]1.
What is the InChIKey of 6-(aminomethylamino)-1H-pyrimidin-2-one?
The InChIKey is LEBBLNARGYNSPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4O/c6-3-8-4-1-2-7-5(10)9-4/h1-2H,3,6H2,(H2,7,8,9,10).
What are the key properties of 6-(aminomethylamino)-1H-pyrimidin-2-one?
6-(aminomethylamino)-1H-pyrimidin-2-one has a molecular weight of 140.15 g/mol, XLogP of -0.90, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(aminomethylamino)-1H-pyrimidin-2-one is sourced from PubChem (CID 150921149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).