N-methyl-2-[[6-(propylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]acetamide

C11H16F3N5O — CID 106770681

IUPACN-methyl-2-[[6-(propylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]acetamide
SMILESCCCNc1cc(NCC(=O)NC)nc(C(F)(F)F)n1
InChIInChI=1S/C11H16F3N5O/c1-3-4-16-7-5-8(17-6-9(20)15-2)19-10(18-7)11(12,13)14/h5H,3-4,6H2,1-2H3,(H,15,20)(H2,16,17,18,19)
InChIKeyGJTCJSVGMUSYBU-UHFFFAOYSA-N
MW291.28 g/mol
LogP1.48
Rot. Bonds6

About N-methyl-2-[[6-(propylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]acetamide

N-methyl-2-[[6-(propylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]acetamide (PubChem CID 106770681) has the molecular formula C11H16F3N5O and a molecular weight of 291.28 g/mol. Its IUPAC name is N-methyl-2-[[6-(propylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]acetamide.

Molecular Properties

Compound NameN-methyl-2-[[6-(propylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]acetamide
PubChem CID106770681
Molecular FormulaC11H16F3N5O
Molecular Weight291.28 g/mol
Exact Mass291.13
IUPAC NameN-methyl-2-[[6-(propylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]acetamide
SMILESCCCNc1cc(NCC(=O)NC)nc(C(F)(F)F)n1
InChIInChI=1S/C11H16F3N5O/c1-3-4-16-7-5-8(17-6-9(20)15-2)19-10(18-7)11(12,13)14/h5H,3-4,6H2,1-2H3,(H,15,20)(H2,16,17,18,19)
InChIKeyGJTCJSVGMUSYBU-UHFFFAOYSA-N
XLogP1.48
TPSA78.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.28
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[[6-(propylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]acetate
CID 106770479
N-methyl-3-[[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]propanamide
CID 106771575
methyl 3-[[6-(propylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]propanoate
CID 106771014
2-[[6-(propylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]propanamide
CID 106770807
4-[[6-(propylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]butan-1-ol
CID 106846982
4-N-(2-methylsulfanylethyl)-6-N-propyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106772093
1-[[6-(propylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]pentan-2-ol
CID 106773146
4-N-pentan-2-yl-6-N-propyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106770408
2-[[6-(ethylamino)-2-propylpyrimidin-4-yl]amino]-N-methylacetamide
CID 80955338
6-N-methyl-4-N-octyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106772673
N-methyl-2-[[6-(methylamino)-2-propylpyrimidin-4-yl]amino]acetamide
CID 80955339
4-N-(3-methylpentan-2-yl)-6-N-propyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106771174

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[[6-(propylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]acetamide?
The IUPAC name of N-methyl-2-[[6-(propylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]acetamide (CID 106770681) is N-methyl-2-[[6-(propylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]acetamide.
What is the SMILES notation for N-methyl-2-[[6-(propylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]acetamide?
The canonical SMILES for N-methyl-2-[[6-(propylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]acetamide is CCCNc1cc(NCC(=O)NC)nc(C(F)(F)F)n1.
What is the InChIKey of N-methyl-2-[[6-(propylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]acetamide?
The InChIKey is GJTCJSVGMUSYBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N5O/c1-3-4-16-7-5-8(17-6-9(20)15-2)19-10(18-7)11(12,13)14/h5H,3-4,6H2,1-2H3,(H,15,20)(H2,16,17,18,19).
What are the key properties of N-methyl-2-[[6-(propylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]acetamide?
N-methyl-2-[[6-(propylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]acetamide has a molecular weight of 291.28 g/mol, XLogP of 1.48, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[[6-(propylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]acetamide is sourced from PubChem (CID 106770681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).