4-(methylamino)-5-(trifluoromethyl)pyrimidine-2-carbaldehyde

C7H6F3N3O — CID 150830634

IUPAC4-(methylamino)-5-(trifluoromethyl)pyrimidine-2-carbaldehyde
SMILESCNc1nc(C=O)ncc1C(F)(F)F
InChIInChI=1S/C7H6F3N3O/c1-11-6-4(7(8,9)10)2-12-5(3-14)13-6/h2-3H,1H3,(H,11,12,13)
InChIKeyKLWXUJLFGAOPDI-UHFFFAOYSA-N
MW205.14 g/mol
LogP1.35
Rot. Bonds2

About 4-(methylamino)-5-(trifluoromethyl)pyrimidine-2-carbaldehyde

4-(methylamino)-5-(trifluoromethyl)pyrimidine-2-carbaldehyde (PubChem CID 150830634) has the molecular formula C7H6F3N3O and a molecular weight of 205.14 g/mol. Its IUPAC name is 4-(methylamino)-5-(trifluoromethyl)pyrimidine-2-carbaldehyde.

Molecular Properties

Compound Name4-(methylamino)-5-(trifluoromethyl)pyrimidine-2-carbaldehyde
PubChem CID150830634
Molecular FormulaC7H6F3N3O
Molecular Weight205.14 g/mol
Exact Mass205.05
IUPAC Name4-(methylamino)-5-(trifluoromethyl)pyrimidine-2-carbaldehyde
SMILESCNc1nc(C=O)ncc1C(F)(F)F
InChIInChI=1S/C7H6F3N3O/c1-11-6-4(7(8,9)10)2-12-5(3-14)13-6/h2-3H,1H3,(H,11,12,13)
InChIKeyKLWXUJLFGAOPDI-UHFFFAOYSA-N
XLogP1.35
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.14
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide
CID 174917876
4-N-methyl-2-N-[1-methyl-5-(methylamino)pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 69093300
4-N-methyl-2-N-[3-methyl-2-(methylamino)phenyl]-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 174321925
N-ethyl-3-methyl-2-[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]cyclobutane-1-carboxamide
CID 67970621
2-N-(1,1-dioxo-1-benzothiophen-5-yl)-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 178006847
4-N-methyl-2-N-(1-methyl-5-propan-2-ylpyrazol-4-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 69093451
2-N-(2-methoxy-5-methyl-4-pyridinyl)-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 118896267
2-N-(6-fluoro-1H-indazol-4-yl)-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 171597518
4-N-methyl-2-N-(3-methyl-1-propan-2-ylsulfonylpyrazol-4-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 69093697
2,2-dimethyl-3-[5-methyl-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-1-yl]propanenitrile
CID 69093123
2-N-(5-fluoro-2-methoxyphenyl)-2-N,4-N-dimethyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 141339195
4-N-ethyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 141176474

Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)-5-(trifluoromethyl)pyrimidine-2-carbaldehyde?
The IUPAC name of 4-(methylamino)-5-(trifluoromethyl)pyrimidine-2-carbaldehyde (CID 150830634) is 4-(methylamino)-5-(trifluoromethyl)pyrimidine-2-carbaldehyde.
What is the SMILES notation for 4-(methylamino)-5-(trifluoromethyl)pyrimidine-2-carbaldehyde?
The canonical SMILES for 4-(methylamino)-5-(trifluoromethyl)pyrimidine-2-carbaldehyde is CNc1nc(C=O)ncc1C(F)(F)F.
What is the InChIKey of 4-(methylamino)-5-(trifluoromethyl)pyrimidine-2-carbaldehyde?
The InChIKey is KLWXUJLFGAOPDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3N3O/c1-11-6-4(7(8,9)10)2-12-5(3-14)13-6/h2-3H,1H3,(H,11,12,13).
What are the key properties of 4-(methylamino)-5-(trifluoromethyl)pyrimidine-2-carbaldehyde?
4-(methylamino)-5-(trifluoromethyl)pyrimidine-2-carbaldehyde has a molecular weight of 205.14 g/mol, XLogP of 1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)-5-(trifluoromethyl)pyrimidine-2-carbaldehyde is sourced from PubChem (CID 150830634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).