N-methyl-3-[[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]propanamide

C10H14F3N5O — CID 106771575

IUPACN-methyl-3-[[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]propanamide
SMILESCNC(=O)CCNc1cc(NC)nc(C(F)(F)F)n1
InChIInChI=1S/C10H14F3N5O/c1-14-6-5-7(16-4-3-8(19)15-2)18-9(17-6)10(11,12)13/h5H,3-4H2,1-2H3,(H,15,19)(H2,14,16,17,18)
InChIKeyCRKSZEAPTNCUNO-UHFFFAOYSA-N
MW277.25 g/mol
LogP1.09
Rot. Bonds5

About N-methyl-3-[[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]propanamide

N-methyl-3-[[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]propanamide (PubChem CID 106771575) has the molecular formula C10H14F3N5O and a molecular weight of 277.25 g/mol. Its IUPAC name is N-methyl-3-[[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]propanamide.

Molecular Properties

Compound NameN-methyl-3-[[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]propanamide
PubChem CID106771575
Molecular FormulaC10H14F3N5O
Molecular Weight277.25 g/mol
Exact Mass277.12
IUPAC NameN-methyl-3-[[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]propanamide
SMILESCNC(=O)CCNc1cc(NC)nc(C(F)(F)F)n1
InChIInChI=1S/C10H14F3N5O/c1-14-6-5-7(16-4-3-8(19)15-2)18-9(17-6)10(11,12)13/h5H,3-4H2,1-2H3,(H,15,19)(H2,14,16,17,18)
InChIKeyCRKSZEAPTNCUNO-UHFFFAOYSA-N
XLogP1.09
TPSA78.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.25
LogP ≤ 51.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-2-[[6-(propylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]acetamide
CID 106770681
6-N-methyl-4-N-octyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106772673
methyl 3-[[6-(propylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]propanoate
CID 106771014
3-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]amino]-N,N-dimethylpropanamide
CID 80957506
3-[[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]propane-1,2-diol
CID 106772397
4-N-(3-butoxypropyl)-6-N-methyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106773058
N-[2-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]amino]ethyl]acetamide
CID 80967857
6-N-methyl-4-N-(2,2,3,3-tetrafluoropropyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106296239
5-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]amino]pentanamide
CID 106241594
2-[[6-(propylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]propanamide
CID 106770807
6-N-methyl-4-N-(2-thiomorpholin-4-ylethyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106327619
6-N-methyl-4-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106424455

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]propanamide?
The IUPAC name of N-methyl-3-[[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]propanamide (CID 106771575) is N-methyl-3-[[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]propanamide.
What is the SMILES notation for N-methyl-3-[[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]propanamide?
The canonical SMILES for N-methyl-3-[[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]propanamide is CNC(=O)CCNc1cc(NC)nc(C(F)(F)F)n1.
What is the InChIKey of N-methyl-3-[[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]propanamide?
The InChIKey is CRKSZEAPTNCUNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N5O/c1-14-6-5-7(16-4-3-8(19)15-2)18-9(17-6)10(11,12)13/h5H,3-4H2,1-2H3,(H,15,19)(H2,14,16,17,18).
What are the key properties of N-methyl-3-[[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]propanamide?
N-methyl-3-[[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]propanamide has a molecular weight of 277.25 g/mol, XLogP of 1.09, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]propanamide is sourced from PubChem (CID 106771575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).