4-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)-1H-pyrimidine-2,4-diamine

C10H17F3N6 — CID 154360251

IUPAC4-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)-1H-pyrimidine-2,4-diamine
SMILESCN1CCN(C2(N)N=C(N)NC=C2C(F)(F)F)CC1
InChIInChI=1S/C10H17F3N6/c1-18-2-4-19(5-3-18)10(15)7(9(11,12)13)6-16-8(14)17-10/h6H,2-5,15H2,1H3,(H3,14,16,17)
InChIKeyWWEYZJRYOHNRCR-UHFFFAOYSA-N
MW278.28 g/mol
LogP-0.79
Rot. Bonds1

About 4-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)-1H-pyrimidine-2,4-diamine

4-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)-1H-pyrimidine-2,4-diamine (PubChem CID 154360251) has the molecular formula C10H17F3N6 and a molecular weight of 278.28 g/mol. Its IUPAC name is 4-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)-1H-pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)-1H-pyrimidine-2,4-diamine
PubChem CID154360251
Molecular FormulaC10H17F3N6
Molecular Weight278.28 g/mol
Exact Mass278.15
IUPAC Name4-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)-1H-pyrimidine-2,4-diamine
SMILESCN1CCN(C2(N)N=C(N)NC=C2C(F)(F)F)CC1
InChIInChI=1S/C10H17F3N6/c1-18-2-4-19(5-3-18)10(15)7(9(11,12)13)6-16-8(14)17-10/h6H,2-5,15H2,1H3,(H3,14,16,17)
InChIKeyWWEYZJRYOHNRCR-UHFFFAOYSA-N
XLogP-0.79
TPSA82.91 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.28
LogP ≤ 5-0.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-methylidene-N'-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]piperazine-1-carboximidamide
CID 174328324
5-Methyl-2-(4-methylpiperazin-1-yl)-1,4-dihydropyrimidine
CID 145274823
2-deuterio-2-[(3R)-3-methylpiperazin-1-yl]-5-(trifluoromethyl)-1H-pyrimidin-4-amine
CID 175700512

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)-1H-pyrimidine-2,4-diamine?
The IUPAC name of 4-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)-1H-pyrimidine-2,4-diamine (CID 154360251) is 4-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)-1H-pyrimidine-2,4-diamine.
What is the SMILES notation for 4-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)-1H-pyrimidine-2,4-diamine?
The canonical SMILES for 4-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)-1H-pyrimidine-2,4-diamine is CN1CCN(C2(N)N=C(N)NC=C2C(F)(F)F)CC1.
What is the InChIKey of 4-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)-1H-pyrimidine-2,4-diamine?
The InChIKey is WWEYZJRYOHNRCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N6/c1-18-2-4-19(5-3-18)10(15)7(9(11,12)13)6-16-8(14)17-10/h6H,2-5,15H2,1H3,(H3,14,16,17).
What are the key properties of 4-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)-1H-pyrimidine-2,4-diamine?
4-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)-1H-pyrimidine-2,4-diamine has a molecular weight of 278.28 g/mol, XLogP of -0.79, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)-1H-pyrimidine-2,4-diamine is sourced from PubChem (CID 154360251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).