ethyl N'-(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamimidate

C8H12N4O2 — CID 135782690

IUPACethyl N'-(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamimidate
SMILESCCO/C(N)=N/c1nc(C)cc(=O)[nH]1
InChIInChI=1S/C8H12N4O2/c1-3-14-7(9)12-8-10-5(2)4-6(13)11-8/h4H,3H2,1-2H3,(H3,9,10,11,12,13)
InChIKeyRRZLJRMZQLKSHR-UHFFFAOYSA-N
MW196.21 g/mol
LogP0.06
Rot. Bonds2

About ethyl N'-(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamimidate

ethyl N'-(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamimidate (PubChem CID 135782690) has the molecular formula C8H12N4O2 and a molecular weight of 196.21 g/mol. Its IUPAC name is ethyl N'-(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamimidate.

Molecular Properties

Compound Nameethyl N'-(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamimidate
PubChem CID135782690
Molecular FormulaC8H12N4O2
Molecular Weight196.21 g/mol
Exact Mass196.10
IUPAC Nameethyl N'-(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamimidate
SMILESCCO/C(N)=N/c1nc(C)cc(=O)[nH]1
InChIInChI=1S/C8H12N4O2/c1-3-14-7(9)12-8-10-5(2)4-6(13)11-8/h4H,3H2,1-2H3,(H3,9,10,11,12,13)
InChIKeyRRZLJRMZQLKSHR-UHFFFAOYSA-N
XLogP0.06
TPSA93.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-Methoxy-6-methyl-3,4-dihydropyrimidin-4-one
CID 135437273
N-(4-hydroxy-6-methylpyrimidin-2-yl)acetamide
CID 135455254
N,N-Dimethyl-N''-(6-methyl-4-oxo-1,4-dihydropyrimidin-2-yl)guanidine
CID 135488785
2-Isopropoxy-4-methyl-6-hydroxypyrimidine
CID 135803833
1,1-dimethyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)guanidine
CID 135471843
2-propoxy-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 135711055
ethane;2-ethoxy-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 144074754
(4-Hydroxy-6-methylpyrimidin-2-yl)urea
CID 135408702
CID 161215610
CID 161215610
2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)guanidine
CID 136656875
2-n-Butoxy-4-hydroxy-6-methylpyrimidine
CID 137182906
2-amino-4-methyl-1H-pyrimidin-6-one;2,5-diamino-4-methyl-1H-pyrimidin-6-one
CID 135491199

Frequently Asked Questions

What is the IUPAC name of ethyl N'-(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamimidate?
The IUPAC name of ethyl N'-(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamimidate (CID 135782690) is ethyl N'-(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamimidate.
What is the SMILES notation for ethyl N'-(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamimidate?
The canonical SMILES for ethyl N'-(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamimidate is CCO/C(N)=N/c1nc(C)cc(=O)[nH]1.
What is the InChIKey of ethyl N'-(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamimidate?
The InChIKey is RRZLJRMZQLKSHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O2/c1-3-14-7(9)12-8-10-5(2)4-6(13)11-8/h4H,3H2,1-2H3,(H3,9,10,11,12,13).
What are the key properties of ethyl N'-(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamimidate?
ethyl N'-(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamimidate has a molecular weight of 196.21 g/mol, XLogP of 0.06, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N'-(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamimidate is sourced from PubChem (CID 135782690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).