1-methyl-5,6-bis(methylideneamino)pyrimidine-2,4-dione

C7H8N4O2 — CID 145188710

IUPAC1-methyl-5,6-bis(methylideneamino)pyrimidine-2,4-dione
SMILESC=Nc1c(N=C)n(C)c(=O)[nH]c1=O
InChIInChI=1S/C7H8N4O2/c1-8-4-5(9-2)11(3)7(13)10-6(4)12/h1-2H2,3H3,(H,10,12,13)
InChIKeySCIBYRXILRQFQB-UHFFFAOYSA-N
MW180.17 g/mol
LogP-0.26
Rot. Bonds2

About 1-methyl-5,6-bis(methylideneamino)pyrimidine-2,4-dione

1-methyl-5,6-bis(methylideneamino)pyrimidine-2,4-dione (PubChem CID 145188710) has the molecular formula C7H8N4O2 and a molecular weight of 180.17 g/mol. Its IUPAC name is 1-methyl-5,6-bis(methylideneamino)pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-methyl-5,6-bis(methylideneamino)pyrimidine-2,4-dione
PubChem CID145188710
Molecular FormulaC7H8N4O2
Molecular Weight180.17 g/mol
Exact Mass180.06
IUPAC Name1-methyl-5,6-bis(methylideneamino)pyrimidine-2,4-dione
SMILESC=Nc1c(N=C)n(C)c(=O)[nH]c1=O
InChIInChI=1S/C7H8N4O2/c1-8-4-5(9-2)11(3)7(13)10-6(4)12/h1-2H2,3H3,(H,10,12,13)
InChIKeySCIBYRXILRQFQB-UHFFFAOYSA-N
XLogP-0.26
TPSA79.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.17
LogP ≤ 5-0.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5,6-bis(methylideneamino)pyrimidine-2,4-dione?
The IUPAC name of 1-methyl-5,6-bis(methylideneamino)pyrimidine-2,4-dione (CID 145188710) is 1-methyl-5,6-bis(methylideneamino)pyrimidine-2,4-dione.
What is the SMILES notation for 1-methyl-5,6-bis(methylideneamino)pyrimidine-2,4-dione?
The canonical SMILES for 1-methyl-5,6-bis(methylideneamino)pyrimidine-2,4-dione is C=Nc1c(N=C)n(C)c(=O)[nH]c1=O.
What is the InChIKey of 1-methyl-5,6-bis(methylideneamino)pyrimidine-2,4-dione?
The InChIKey is SCIBYRXILRQFQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4O2/c1-8-4-5(9-2)11(3)7(13)10-6(4)12/h1-2H2,3H3,(H,10,12,13).
What are the key properties of 1-methyl-5,6-bis(methylideneamino)pyrimidine-2,4-dione?
1-methyl-5,6-bis(methylideneamino)pyrimidine-2,4-dione has a molecular weight of 180.17 g/mol, XLogP of -0.26, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5,6-bis(methylideneamino)pyrimidine-2,4-dione is sourced from PubChem (CID 145188710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).