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

C9H12F3N5O — CID 106770809

IUPAC2-[[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]propanamide
SMILESCNc1cc(NC(C)C(N)=O)nc(C(F)(F)F)n1
InChIInChI=1S/C9H12F3N5O/c1-4(7(13)18)15-6-3-5(14-2)16-8(17-6)9(10,11)12/h3-4H,1-2H3,(H2,13,18)(H2,14,15,16,17)
InChIKeyHTSKQHSBKUSWGN-UHFFFAOYSA-N
MW263.22 g/mol
LogP0.82
Rot. Bonds4

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

2-[[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]propanamide (PubChem CID 106770809) has the molecular formula C9H12F3N5O and a molecular weight of 263.22 g/mol. Its IUPAC name is 2-[[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]propanamide.

Molecular Properties

Compound Name2-[[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]propanamide
PubChem CID106770809
Molecular FormulaC9H12F3N5O
Molecular Weight263.22 g/mol
Exact Mass263.10
IUPAC Name2-[[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]propanamide
SMILESCNc1cc(NC(C)C(N)=O)nc(C(F)(F)F)n1
InChIInChI=1S/C9H12F3N5O/c1-4(7(13)18)15-6-3-5(14-2)16-8(17-6)9(10,11)12/h3-4H,1-2H3,(H2,13,18)(H2,14,15,16,17)
InChIKeyHTSKQHSBKUSWGN-UHFFFAOYSA-N
XLogP0.82
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.22
LogP ≤ 50.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]propanamide?
The IUPAC name of 2-[[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]propanamide (CID 106770809) is 2-[[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]propanamide.
What is the SMILES notation for 2-[[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]propanamide?
The canonical SMILES for 2-[[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]propanamide is CNc1cc(NC(C)C(N)=O)nc(C(F)(F)F)n1.
What is the InChIKey of 2-[[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]propanamide?
The InChIKey is HTSKQHSBKUSWGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N5O/c1-4(7(13)18)15-6-3-5(14-2)16-8(17-6)9(10,11)12/h3-4H,1-2H3,(H2,13,18)(H2,14,15,16,17).
What are the key properties of 2-[[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]propanamide?
2-[[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]propanamide has a molecular weight of 263.22 g/mol, XLogP of 0.82, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]propanamide is sourced from PubChem (CID 106770809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).