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

C12H18F3N5O — CID 106771179

IUPACN-methyl-2-[[6-(propylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]propanamide
SMILESCCCNc1cc(NC(C)C(=O)NC)nc(C(F)(F)F)n1
InChIInChI=1S/C12H18F3N5O/c1-4-5-17-8-6-9(18-7(2)10(21)16-3)20-11(19-8)12(13,14)15/h6-7H,4-5H2,1-3H3,(H,16,21)(H2,17,18,19,20)
InChIKeyPKHDAPKXFSCLQZ-UHFFFAOYSA-N
MW305.30 g/mol
LogP1.86
Rot. Bonds6

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

N-methyl-2-[[6-(propylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]propanamide (PubChem CID 106771179) has the molecular formula C12H18F3N5O and a molecular weight of 305.30 g/mol. Its IUPAC name is N-methyl-2-[[6-(propylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]propanamide.

Molecular Properties

Compound NameN-methyl-2-[[6-(propylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]propanamide
PubChem CID106771179
Molecular FormulaC12H18F3N5O
Molecular Weight305.30 g/mol
Exact Mass305.15
IUPAC NameN-methyl-2-[[6-(propylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]propanamide
SMILESCCCNc1cc(NC(C)C(=O)NC)nc(C(F)(F)F)n1
InChIInChI=1S/C12H18F3N5O/c1-4-5-17-8-6-9(18-7(2)10(21)16-3)20-11(19-8)12(13,14)15/h6-7H,4-5H2,1-3H3,(H,16,21)(H2,17,18,19,20)
InChIKeyPKHDAPKXFSCLQZ-UHFFFAOYSA-N
XLogP1.86
TPSA78.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.30
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-methyl-2-[[6-(propylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[[6-(propylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]propanamide?
The IUPAC name of N-methyl-2-[[6-(propylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]propanamide (CID 106771179) is N-methyl-2-[[6-(propylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]propanamide.
What is the SMILES notation for N-methyl-2-[[6-(propylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]propanamide?
The canonical SMILES for N-methyl-2-[[6-(propylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]propanamide is CCCNc1cc(NC(C)C(=O)NC)nc(C(F)(F)F)n1.
What is the InChIKey of N-methyl-2-[[6-(propylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]propanamide?
The InChIKey is PKHDAPKXFSCLQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N5O/c1-4-5-17-8-6-9(18-7(2)10(21)16-3)20-11(19-8)12(13,14)15/h6-7H,4-5H2,1-3H3,(H,16,21)(H2,17,18,19,20).
What are the key properties of N-methyl-2-[[6-(propylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]propanamide?
N-methyl-2-[[6-(propylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]propanamide has a molecular weight of 305.30 g/mol, XLogP of 1.86, 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]propanamide is sourced from PubChem (CID 106771179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).