2-[[6-(propylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]propanamide

C11H16F3N5O — CID 106770807

IUPAC2-[[6-(propylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]propanamide
SMILESCCCNc1cc(NC(C)C(N)=O)nc(C(F)(F)F)n1
InChIInChI=1S/C11H16F3N5O/c1-3-4-16-7-5-8(17-6(2)9(15)20)19-10(18-7)11(12,13)14/h5-6H,3-4H2,1-2H3,(H2,15,20)(H2,16,17,18,19)
InChIKeyJBAKSTZIMSXMOK-UHFFFAOYSA-N
MW291.28 g/mol
LogP1.60
Rot. Bonds6

About 2-[[6-(propylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]propanamide

2-[[6-(propylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]propanamide (PubChem CID 106770807) has the molecular formula C11H16F3N5O and a molecular weight of 291.28 g/mol. Its IUPAC name is 2-[[6-(propylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]propanamide.

Molecular Properties

Compound Name2-[[6-(propylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]propanamide
PubChem CID106770807
Molecular FormulaC11H16F3N5O
Molecular Weight291.28 g/mol
Exact Mass291.13
IUPAC Name2-[[6-(propylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]propanamide
SMILESCCCNc1cc(NC(C)C(N)=O)nc(C(F)(F)F)n1
InChIInChI=1S/C11H16F3N5O/c1-3-4-16-7-5-8(17-6(2)9(15)20)19-10(18-7)11(12,13)14/h5-6H,3-4H2,1-2H3,(H2,15,20)(H2,16,17,18,19)
InChIKeyJBAKSTZIMSXMOK-UHFFFAOYSA-N
XLogP1.60
TPSA92.93 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 ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[[2-tert-butyl-6-(propylamino)pyrimidin-4-yl]amino]propanoate
CID 80961991
4-N-pentan-2-yl-6-N-propyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106770408
2-[[2-cyclopropyl-6-(propylamino)pyrimidin-4-yl]amino]propanamide
CID 80967928
N-methyl-2-[[6-(propylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]acetamide
CID 106770681
4-N-(3-methylpentan-2-yl)-6-N-propyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106771174
4-[[6-(propylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]pentan-1-ol
CID 106772532
methyl 2-[[6-(propylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]acetate
CID 106770479
methyl 3-[[6-(propylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]propanoate
CID 106771014
4-[[6-(propylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]butan-1-ol
CID 106846982
1-[[6-(propylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]pentan-2-ol
CID 106773146
4-N-(2-methylsulfanylpropyl)-6-N-propyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106772999
3-[[2-tert-butyl-6-(propylamino)pyrimidin-4-yl]amino]-2-hydroxypropanamide
CID 106178955

Frequently Asked Questions

What is the IUPAC name of 2-[[6-(propylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]propanamide?
The IUPAC name of 2-[[6-(propylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]propanamide (CID 106770807) is 2-[[6-(propylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]propanamide.
What is the SMILES notation for 2-[[6-(propylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]propanamide?
The canonical SMILES for 2-[[6-(propylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]propanamide is CCCNc1cc(NC(C)C(N)=O)nc(C(F)(F)F)n1.
What is the InChIKey of 2-[[6-(propylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]propanamide?
The InChIKey is JBAKSTZIMSXMOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N5O/c1-3-4-16-7-5-8(17-6(2)9(15)20)19-10(18-7)11(12,13)14/h5-6H,3-4H2,1-2H3,(H2,15,20)(H2,16,17,18,19).
What are the key properties of 2-[[6-(propylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]propanamide?
2-[[6-(propylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]propanamide has a molecular weight of 291.28 g/mol, XLogP of 1.60, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(propylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]propanamide is sourced from PubChem (CID 106770807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).