3-methyl-6-[methyl-[(Z)-pyridin-4-ylmethylideneamino]amino]-1H-pyrimidine-2,4-dione

C12H13N5O2 — CID 6110419

IUPAC3-methyl-6-[methyl-[(Z)-pyridin-4-ylmethylideneamino]amino]-1H-pyrimidine-2,4-dione
SMILESCN(/N=C\c1ccncc1)c1cc(=O)n(C)c(=O)[nH]1
InChIInChI=1S/C12H13N5O2/c1-16-11(18)7-10(15-12(16)19)17(2)14-8-9-3-5-13-6-4-9/h3-8H,1-2H3,(H,15,19)/b14-8-
InChIKeyJMFKSDKMGSHTIR-ZSOIEALJSA-N
MW259.27 g/mol
LogP-0.06
Rot. Bonds3

About 3-methyl-6-[methyl-[(Z)-pyridin-4-ylmethylideneamino]amino]-1H-pyrimidine-2,4-dione

3-methyl-6-[methyl-[(Z)-pyridin-4-ylmethylideneamino]amino]-1H-pyrimidine-2,4-dione (PubChem CID 6110419) has the molecular formula C12H13N5O2 and a molecular weight of 259.27 g/mol. Its IUPAC name is 3-methyl-6-[methyl-[(Z)-pyridin-4-ylmethylideneamino]amino]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-methyl-6-[methyl-[(Z)-pyridin-4-ylmethylideneamino]amino]-1H-pyrimidine-2,4-dione
PubChem CID6110419
Molecular FormulaC12H13N5O2
Molecular Weight259.27 g/mol
Exact Mass259.11
IUPAC Name3-methyl-6-[methyl-[(Z)-pyridin-4-ylmethylideneamino]amino]-1H-pyrimidine-2,4-dione
SMILESCN(/N=C\c1ccncc1)c1cc(=O)n(C)c(=O)[nH]1
InChIInChI=1S/C12H13N5O2/c1-16-11(18)7-10(15-12(16)19)17(2)14-8-9-3-5-13-6-4-9/h3-8H,1-2H3,(H,15,19)/b14-8-
InChIKeyJMFKSDKMGSHTIR-ZSOIEALJSA-N
XLogP-0.06
TPSA83.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-[methyl-[(Z)-pyridin-4-ylmethylideneamino]amino]-1H-pyrimidine-2,4-dione?
The IUPAC name of 3-methyl-6-[methyl-[(Z)-pyridin-4-ylmethylideneamino]amino]-1H-pyrimidine-2,4-dione (CID 6110419) is 3-methyl-6-[methyl-[(Z)-pyridin-4-ylmethylideneamino]amino]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 3-methyl-6-[methyl-[(Z)-pyridin-4-ylmethylideneamino]amino]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 3-methyl-6-[methyl-[(Z)-pyridin-4-ylmethylideneamino]amino]-1H-pyrimidine-2,4-dione is CN(/N=C\c1ccncc1)c1cc(=O)n(C)c(=O)[nH]1.
What is the InChIKey of 3-methyl-6-[methyl-[(Z)-pyridin-4-ylmethylideneamino]amino]-1H-pyrimidine-2,4-dione?
The InChIKey is JMFKSDKMGSHTIR-ZSOIEALJSA-N. The full InChI is InChI=1S/C12H13N5O2/c1-16-11(18)7-10(15-12(16)19)17(2)14-8-9-3-5-13-6-4-9/h3-8H,1-2H3,(H,15,19)/b14-8-.
What are the key properties of 3-methyl-6-[methyl-[(Z)-pyridin-4-ylmethylideneamino]amino]-1H-pyrimidine-2,4-dione?
3-methyl-6-[methyl-[(Z)-pyridin-4-ylmethylideneamino]amino]-1H-pyrimidine-2,4-dione has a molecular weight of 259.27 g/mol, XLogP of -0.06, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-[methyl-[(Z)-pyridin-4-ylmethylideneamino]amino]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 6110419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).