2-(methylamino)-N-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]acetamide;hydrochloride

C10H15ClF3N5O — CID 119708120

IUPAC2-(methylamino)-N-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]acetamide;hydrochloride
SMILESCNCC(=O)NCCNc1nccc(C(F)(F)F)n1.Cl
InChIInChI=1S/C10H14F3N5O.ClH/c1-14-6-8(19)15-4-5-17-9-16-3-2-7(18-9)10(11,12)13;/h2-3,14H,4-6H2,1H3,(H,15,19)(H,16,17,18);1H
InChIKeySNCPLDVNVASXIT-UHFFFAOYSA-N
MW313.71 g/mol
LogP0.66
Rot. Bonds6

About 2-(methylamino)-N-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]acetamide;hydrochloride

2-(methylamino)-N-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]acetamide;hydrochloride (PubChem CID 119708120) has the molecular formula C10H15ClF3N5O and a molecular weight of 313.71 g/mol. Its IUPAC name is 2-(methylamino)-N-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-(methylamino)-N-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]acetamide;hydrochloride
PubChem CID119708120
Molecular FormulaC10H15ClF3N5O
Molecular Weight313.71 g/mol
Exact Mass313.09
IUPAC Name2-(methylamino)-N-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]acetamide;hydrochloride
SMILESCNCC(=O)NCCNc1nccc(C(F)(F)F)n1.Cl
InChIInChI=1S/C10H14F3N5O.ClH/c1-14-6-8(19)15-4-5-17-9-16-3-2-7(18-9)10(11,12)13;/h2-3,14H,4-6H2,1H3,(H,15,19)(H,16,17,18);1H
InChIKeySNCPLDVNVASXIT-UHFFFAOYSA-N
XLogP0.66
TPSA78.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.71
LogP ≤ 50.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]acetamide
CID 60732159
(2S)-2-amino-3,3-dimethyl-N-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]butanamide;hydrochloride
CID 119708124
2-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethylcarbamoyl]benzoic acid
CID 3515621
3-(2-aminophenyl)-N-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]propanamide;hydrochloride
CID 120608640
N-tert-butyl-2-[[N'-methyl-N-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]carbamimidoyl]amino]acetamide;hydroiodide
CID 111776179
4-hydroxy-N-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]benzamide
CID 60507961
2-amino-2-(4-methylphenyl)-N-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]acetamide
CID 120667053
2-methyl-1-propyl-3-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]guanidine;hydroiodide
CID 111773683
4-methoxy-N-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]piperidine-4-carboxamide;hydrochloride
CID 119708136
4,4-dimethyl-6-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]hexanoic acid
CID 65285293
2-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]pentanoic acid
CID 104683281
9-amino-N-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120990410

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-N-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]acetamide;hydrochloride?
The IUPAC name of 2-(methylamino)-N-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]acetamide;hydrochloride (CID 119708120) is 2-(methylamino)-N-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]acetamide;hydrochloride.
What is the SMILES notation for 2-(methylamino)-N-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]acetamide;hydrochloride?
The canonical SMILES for 2-(methylamino)-N-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]acetamide;hydrochloride is CNCC(=O)NCCNc1nccc(C(F)(F)F)n1.Cl.
What is the InChIKey of 2-(methylamino)-N-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]acetamide;hydrochloride?
The InChIKey is SNCPLDVNVASXIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N5O.ClH/c1-14-6-8(19)15-4-5-17-9-16-3-2-7(18-9)10(11,12)13;/h2-3,14H,4-6H2,1H3,(H,15,19)(H,16,17,18);1H.
What are the key properties of 2-(methylamino)-N-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]acetamide;hydrochloride?
2-(methylamino)-N-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]acetamide;hydrochloride has a molecular weight of 313.71 g/mol, XLogP of 0.66, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-N-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]acetamide;hydrochloride is sourced from PubChem (CID 119708120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).