(2E)-2-ethylidene-6-methyl-1H-pyrimidine-4-carboxylic acid;methanimine

C9H13N3O2 — CID 143680223

IUPAC(2E)-2-ethylidene-6-methyl-1H-pyrimidine-4-carboxylic acid;methanimine
SMILESC/C=C1/N=C(C(=O)O)C=C(C)N1.[H]N=C
InChIInChI=1S/C8H10N2O2.CH3N/c1-3-7-9-5(2)4-6(10-7)8(11)12;1-2/h3-4,9H,1-2H3,(H,11,12);2H,1H2/b7-3+;
InChIKeyKVSWGTWXSHRSRA-CDQVLDCRSA-N
MW195.22 g/mol
LogP1.15
Rot. Bonds1

About (2E)-2-ethylidene-6-methyl-1H-pyrimidine-4-carboxylic acid;methanimine

(2E)-2-ethylidene-6-methyl-1H-pyrimidine-4-carboxylic acid;methanimine (PubChem CID 143680223) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is (2E)-2-ethylidene-6-methyl-1H-pyrimidine-4-carboxylic acid;methanimine.

Molecular Properties

Compound Name(2E)-2-ethylidene-6-methyl-1H-pyrimidine-4-carboxylic acid;methanimine
PubChem CID143680223
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name(2E)-2-ethylidene-6-methyl-1H-pyrimidine-4-carboxylic acid;methanimine
SMILESC/C=C1/N=C(C(=O)O)C=C(C)N1.[H]N=C
InChIInChI=1S/C8H10N2O2.CH3N/c1-3-7-9-5(2)4-6(10-7)8(11)12;1-2/h3-4,9H,1-2H3,(H,11,12);2H,1H2/b7-3+;
InChIKeyKVSWGTWXSHRSRA-CDQVLDCRSA-N
XLogP1.15
TPSA85.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-Hydroxy-6-isobutylpyrimidine-4-carboxylic acid
CID 6484120
6-Methyl-2-oxo-1,2-dihydropyrimidine-4-carboxylic acid
CID 28799510
6-Tert-butyl-2-hydroxy-pyrimidine-4-carboxylic acid
CID 25801801
2-Mercapto-6-methylpyrimidine-4-carboxylic acid
CID 57953943
(Z)-4-amino-2-ethyliminopent-3-enoic acid
CID 88258903
(2S)-2-amino-6-methyl-1,2-dihydropyrimidine-4-carboxylic acid
CID 124095477
(Z)-4-amino-2-methyliminohex-3-enoic acid
CID 145463357
4-Amino-2-ethyliminopent-3-enoic acid
CID 148291643
(3-Amino-1-carboxybut-2-enylidene)-ethylazanium
CID 148291644
4-Amino-2-methyliminopent-3-enoic acid
CID 148393337
(3-Amino-1-carboxybut-2-enylidene)-methylazanium
CID 163751548
4-Amino-2-(methylidenehydrazinylidene)pent-3-enoic acid
CID 164070764

Frequently Asked Questions

What is the IUPAC name of (2E)-2-ethylidene-6-methyl-1H-pyrimidine-4-carboxylic acid;methanimine?
The IUPAC name of (2E)-2-ethylidene-6-methyl-1H-pyrimidine-4-carboxylic acid;methanimine (CID 143680223) is (2E)-2-ethylidene-6-methyl-1H-pyrimidine-4-carboxylic acid;methanimine.
What is the SMILES notation for (2E)-2-ethylidene-6-methyl-1H-pyrimidine-4-carboxylic acid;methanimine?
The canonical SMILES for (2E)-2-ethylidene-6-methyl-1H-pyrimidine-4-carboxylic acid;methanimine is C/C=C1/N=C(C(=O)O)C=C(C)N1.[H]N=C.
What is the InChIKey of (2E)-2-ethylidene-6-methyl-1H-pyrimidine-4-carboxylic acid;methanimine?
The InChIKey is KVSWGTWXSHRSRA-CDQVLDCRSA-N. The full InChI is InChI=1S/C8H10N2O2.CH3N/c1-3-7-9-5(2)4-6(10-7)8(11)12;1-2/h3-4,9H,1-2H3,(H,11,12);2H,1H2/b7-3+;.
What are the key properties of (2E)-2-ethylidene-6-methyl-1H-pyrimidine-4-carboxylic acid;methanimine?
(2E)-2-ethylidene-6-methyl-1H-pyrimidine-4-carboxylic acid;methanimine has a molecular weight of 195.22 g/mol, XLogP of 1.15, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-ethylidene-6-methyl-1H-pyrimidine-4-carboxylic acid;methanimine is sourced from PubChem (CID 143680223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).