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

C10H14F3N5O — CID 106771180

IUPACN-methyl-2-[[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]propanamide
SMILESCNC(=O)C(C)Nc1cc(NC)nc(C(F)(F)F)n1
InChIInChI=1S/C10H14F3N5O/c1-5(8(19)15-3)16-7-4-6(14-2)17-9(18-7)10(11,12)13/h4-5H,1-3H3,(H,15,19)(H2,14,16,17,18)
InChIKeySDQBEJWFZSNUFF-UHFFFAOYSA-N
MW277.25 g/mol
LogP1.08
Rot. Bonds4

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

N-methyl-2-[[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]propanamide (PubChem CID 106771180) has the molecular formula C10H14F3N5O and a molecular weight of 277.25 g/mol. Its IUPAC name is N-methyl-2-[[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]propanamide.

Molecular Properties

Compound NameN-methyl-2-[[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]propanamide
PubChem CID106771180
Molecular FormulaC10H14F3N5O
Molecular Weight277.25 g/mol
Exact Mass277.12
IUPAC NameN-methyl-2-[[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]propanamide
SMILESCNC(=O)C(C)Nc1cc(NC)nc(C(F)(F)F)n1
InChIInChI=1S/C10H14F3N5O/c1-5(8(19)15-3)16-7-4-6(14-2)17-9(18-7)10(11,12)13/h4-5H,1-3H3,(H,15,19)(H2,14,16,17,18)
InChIKeySDQBEJWFZSNUFF-UHFFFAOYSA-N
XLogP1.08
TPSA78.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.25
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-((6-(ethylamino)-2-methylpyrimidin-4-yl)amino)ethyl)acetamide
CID 45497026
N-(2-((6-(ethylamino)-2-methylpyrimidin-4-yl)amino)ethyl)pivalamide
CID 45497028
1-(4-(6-(Ethylamino)-2-methylpyrimidin-4-yl)piperazin-1-yl)butan-1-one
CID 50946039
1-(4-(6-(Ethylamino)-2-methylpyrimidin-4-yl)piperazin-1-yl)-2-methylpropan-1-one
CID 56699070
N-[1-(6-aminopyrimidin-4-yl)piperidin-3-yl]-2,2,2-trifluoroacetamide
CID 21934597
(S)-2-(2-chloropyrimidin-4-ylamino)-N-(2,2,2-trifluoroethyl)propanamide
CID 58897098
2-[(2-chloropyrimidin-4-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide
CID 72456418
2-(4,6-dichloro-pyrimidin-2-ylamino)-N-(2,2,2-trifluoro-ethyl)-propionamide
CID 86614829
N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexyl]-2,2,2-trifluoroacetamide
CID 87642930
2-[(2,6-dichloropyrimidin-4-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide
CID 87774717
(2S)-2-[(4,6-dichloropyrimidin-2-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide
CID 87869769
(2S)-2-[(2,6-dichloropyrimidin-4-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide
CID 87869858

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]propanamide?
The IUPAC name of N-methyl-2-[[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]propanamide (CID 106771180) is N-methyl-2-[[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]propanamide.
What is the SMILES notation for N-methyl-2-[[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]propanamide?
The canonical SMILES for N-methyl-2-[[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]propanamide is CNC(=O)C(C)Nc1cc(NC)nc(C(F)(F)F)n1.
What is the InChIKey of N-methyl-2-[[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]propanamide?
The InChIKey is SDQBEJWFZSNUFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N5O/c1-5(8(19)15-3)16-7-4-6(14-2)17-9(18-7)10(11,12)13/h4-5H,1-3H3,(H,15,19)(H2,14,16,17,18).
What are the key properties of N-methyl-2-[[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]propanamide?
N-methyl-2-[[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]propanamide has a molecular weight of 277.25 g/mol, XLogP of 1.08, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]propanamide is sourced from PubChem (CID 106771180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).