6-(4-methylpiperazin-1-yl)-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine

C13H20F3N5 — CID 106770258

IUPAC6-(4-methylpiperazin-1-yl)-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCCCNc1cc(N2CCN(C)CC2)nc(C(F)(F)F)n1
InChIInChI=1S/C13H20F3N5/c1-3-4-17-10-9-11(19-12(18-10)13(14,15)16)21-7-5-20(2)6-8-21/h9H,3-8H2,1-2H3,(H,17,18,19)
InChIKeyUSUWOYZDEXRJLB-UHFFFAOYSA-N
MW303.33 g/mol
LogP2.07
Rot. Bonds4

About 6-(4-methylpiperazin-1-yl)-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine

6-(4-methylpiperazin-1-yl)-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 106770258) has the molecular formula C13H20F3N5 and a molecular weight of 303.33 g/mol. Its IUPAC name is 6-(4-methylpiperazin-1-yl)-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-(4-methylpiperazin-1-yl)-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine
PubChem CID106770258
Molecular FormulaC13H20F3N5
Molecular Weight303.33 g/mol
Exact Mass303.17
IUPAC Name6-(4-methylpiperazin-1-yl)-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCCCNc1cc(N2CCN(C)CC2)nc(C(F)(F)F)n1
InChIInChI=1S/C13H20F3N5/c1-3-4-17-10-9-11(19-12(18-10)13(14,15)16)21-7-5-20(2)6-8-21/h9H,3-8H2,1-2H3,(H,17,18,19)
InChIKeyUSUWOYZDEXRJLB-UHFFFAOYSA-N
XLogP2.07
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.33
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-(4-methylpiperazin-1-yl)-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine with MolForge

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

Launch Full Analysis

Related Compounds

1-[6-(propylamino)-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-ol
CID 106770296
2-methyl-6-(4-methylpiperazin-1-yl)-N-propylpyrimidin-4-amine
CID 80766705
1-[6-(propylamino)-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidine-3,4-diol
CID 106773424
[1-[6-(propylamino)-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-yl]methanol
CID 106772775
6-(4-methylpiperazin-1-yl)-N-propylpyridin-2-amine
CID 80766785
6-(4-methylpiperazin-1-yl)-N-propyl-2-[(propylideneamino)methylsulfanyl]pyrimidin-4-amine
CID 138665591
6-methyl-2-(4-methylpiperazin-1-yl)-N-propylpyrimidin-4-amine
CID 62191776
2-tert-butyl-6-(3-methylpyrrolidin-1-yl)-N-propylpyrimidin-4-amine
CID 80967538
4-N-(2-methylsulfanylethyl)-6-N-propyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106772093
1-[2-tert-butyl-6-(propylamino)pyrimidin-4-yl]pyrrolidin-3-ol
CID 80957698
6-piperidin-1-yl-2-N,4-N-dipropylpyrimidine-2,4-diamine
CID 70171641
4-[[6-(propylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]butan-1-ol
CID 106846982

Frequently Asked Questions

What is the IUPAC name of 6-(4-methylpiperazin-1-yl)-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of 6-(4-methylpiperazin-1-yl)-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine (CID 106770258) is 6-(4-methylpiperazin-1-yl)-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-(4-methylpiperazin-1-yl)-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for 6-(4-methylpiperazin-1-yl)-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine is CCCNc1cc(N2CCN(C)CC2)nc(C(F)(F)F)n1.
What is the InChIKey of 6-(4-methylpiperazin-1-yl)-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is USUWOYZDEXRJLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3N5/c1-3-4-17-10-9-11(19-12(18-10)13(14,15)16)21-7-5-20(2)6-8-21/h9H,3-8H2,1-2H3,(H,17,18,19).
What are the key properties of 6-(4-methylpiperazin-1-yl)-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine?
6-(4-methylpiperazin-1-yl)-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 303.33 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylpiperazin-1-yl)-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 106770258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).