2-[2-(methylamino)ethyl]-5-methylidene-1H-pyrimidine-4,6-dione

C8H11N3O2 — CID 76998595

IUPAC2-[2-(methylamino)ethyl]-5-methylidene-1H-pyrimidine-4,6-dione
SMILESC=C1C(=O)N=C(CCNC)NC1=O
InChIInChI=1S/C8H11N3O2/c1-5-7(12)10-6(3-4-9-2)11-8(5)13/h9H,1,3-4H2,2H3,(H,10,11,12,13)
InChIKeyRMYSWTRITRMVGP-UHFFFAOYSA-N
MW181.19 g/mol
LogP-0.79
Rot. Bonds3

About 2-[2-(methylamino)ethyl]-5-methylidene-1H-pyrimidine-4,6-dione

2-[2-(methylamino)ethyl]-5-methylidene-1H-pyrimidine-4,6-dione (PubChem CID 76998595) has the molecular formula C8H11N3O2 and a molecular weight of 181.19 g/mol. Its IUPAC name is 2-[2-(methylamino)ethyl]-5-methylidene-1H-pyrimidine-4,6-dione.

Molecular Properties

Compound Name2-[2-(methylamino)ethyl]-5-methylidene-1H-pyrimidine-4,6-dione
PubChem CID76998595
Molecular FormulaC8H11N3O2
Molecular Weight181.19 g/mol
Exact Mass181.09
IUPAC Name2-[2-(methylamino)ethyl]-5-methylidene-1H-pyrimidine-4,6-dione
SMILESC=C1C(=O)N=C(CCNC)NC1=O
InChIInChI=1S/C8H11N3O2/c1-5-7(12)10-6(3-4-9-2)11-8(5)13/h9H,1,3-4H2,2H3,(H,10,11,12,13)
InChIKeyRMYSWTRITRMVGP-UHFFFAOYSA-N
XLogP-0.79
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 5-0.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_six_het_A(483)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Related Compounds

5-(Aminomethyl)-2-methyl-4(3H)-pyrimidinone
CID 12694600
4-Hydroxy-2-methylpyrimidine-5-carboxamide
CID 53426734
2-[3-[(2-methyl-6-oxo-1H-pyrimidin-5-yl)methylamino]propyl]guanidine
CID 66581406
1,2-Dimethyl-6-oxopyrimidine-5-carboxamide;ethane
CID 141822291
2-ethyl-4-(methylamino)-6-oxo-1H-pyrimidine-5-carboxamide
CID 142673329
5-(Aminomethyl)-2-ethyl-4(3H)-pyrimidinone
CID 33741805
5-(aminomethyl)-2-propan-2-yl-1H-pyrimidin-6-one
CID 33741918
N,2-dimethyl-6-oxo-1,6-dihydropyrimidine-5-carboxamide
CID 50989028
6-Hydroxy-5-methyl-2-(2-(methylamino)ethyl)pyrimidin-4(3h)-one
CID 63555706
N-[(2-methyl-6-oxo-1H-pyrimidin-5-yl)methyl]acetamide
CID 76852062
2-methyl-5-methylidene-1H-pyrimidine-4,6-dione
CID 78175853
5,5-dimethyl-2-[2-(methylamino)ethyl]-1H-pyrimidine-4,6-dione
CID 79502026

Frequently Asked Questions

What is the IUPAC name of 2-[2-(methylamino)ethyl]-5-methylidene-1H-pyrimidine-4,6-dione?
The IUPAC name of 2-[2-(methylamino)ethyl]-5-methylidene-1H-pyrimidine-4,6-dione (CID 76998595) is 2-[2-(methylamino)ethyl]-5-methylidene-1H-pyrimidine-4,6-dione.
What is the SMILES notation for 2-[2-(methylamino)ethyl]-5-methylidene-1H-pyrimidine-4,6-dione?
The canonical SMILES for 2-[2-(methylamino)ethyl]-5-methylidene-1H-pyrimidine-4,6-dione is C=C1C(=O)N=C(CCNC)NC1=O.
What is the InChIKey of 2-[2-(methylamino)ethyl]-5-methylidene-1H-pyrimidine-4,6-dione?
The InChIKey is RMYSWTRITRMVGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2/c1-5-7(12)10-6(3-4-9-2)11-8(5)13/h9H,1,3-4H2,2H3,(H,10,11,12,13).
What are the key properties of 2-[2-(methylamino)ethyl]-5-methylidene-1H-pyrimidine-4,6-dione?
2-[2-(methylamino)ethyl]-5-methylidene-1H-pyrimidine-4,6-dione has a molecular weight of 181.19 g/mol, XLogP of -0.79, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(methylamino)ethyl]-5-methylidene-1H-pyrimidine-4,6-dione is sourced from PubChem (CID 76998595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).