4-N,4-N-dimethyl-2-N-[2-(4-methylpiperazin-1-yl)propyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine

C15H25F3N6 — CID 133289533

IUPAC4-N,4-N-dimethyl-2-N-[2-(4-methylpiperazin-1-yl)propyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCC(CNc1nc(N(C)C)cc(C(F)(F)F)n1)N1CCN(C)CC1
InChIInChI=1S/C15H25F3N6/c1-11(24-7-5-23(4)6-8-24)10-19-14-20-12(15(16,17)18)9-13(21-14)22(2)3/h9,11H,5-8,10H2,1-4H3,(H,19,20,21)
InChIKeySHBKPYCECJYCKU-UHFFFAOYSA-N
MW346.40 g/mol
LogP1.61
Rot. Bonds5

About 4-N,4-N-dimethyl-2-N-[2-(4-methylpiperazin-1-yl)propyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine

4-N,4-N-dimethyl-2-N-[2-(4-methylpiperazin-1-yl)propyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine (PubChem CID 133289533) has the molecular formula C15H25F3N6 and a molecular weight of 346.40 g/mol. Its IUPAC name is 4-N,4-N-dimethyl-2-N-[2-(4-methylpiperazin-1-yl)propyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N,4-N-dimethyl-2-N-[2-(4-methylpiperazin-1-yl)propyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine
PubChem CID133289533
Molecular FormulaC15H25F3N6
Molecular Weight346.40 g/mol
Exact Mass346.21
IUPAC Name4-N,4-N-dimethyl-2-N-[2-(4-methylpiperazin-1-yl)propyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCC(CNc1nc(N(C)C)cc(C(F)(F)F)n1)N1CCN(C)CC1
InChIInChI=1S/C15H25F3N6/c1-11(24-7-5-23(4)6-8-24)10-19-14-20-12(15(16,17)18)9-13(21-14)22(2)3/h9,11H,5-8,10H2,1-4H3,(H,19,20,21)
InChIKeySHBKPYCECJYCKU-UHFFFAOYSA-N
XLogP1.61
TPSA47.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.40
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-dimethyl-2-N-[2-(4-methylpiperazin-1-yl)propyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N,4-N-dimethyl-2-N-[2-(4-methylpiperazin-1-yl)propyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine (CID 133289533) is 4-N,4-N-dimethyl-2-N-[2-(4-methylpiperazin-1-yl)propyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N,4-N-dimethyl-2-N-[2-(4-methylpiperazin-1-yl)propyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N,4-N-dimethyl-2-N-[2-(4-methylpiperazin-1-yl)propyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine is CC(CNc1nc(N(C)C)cc(C(F)(F)F)n1)N1CCN(C)CC1.
What is the InChIKey of 4-N,4-N-dimethyl-2-N-[2-(4-methylpiperazin-1-yl)propyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine?
The InChIKey is SHBKPYCECJYCKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25F3N6/c1-11(24-7-5-23(4)6-8-24)10-19-14-20-12(15(16,17)18)9-13(21-14)22(2)3/h9,11H,5-8,10H2,1-4H3,(H,19,20,21).
What are the key properties of 4-N,4-N-dimethyl-2-N-[2-(4-methylpiperazin-1-yl)propyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine?
4-N,4-N-dimethyl-2-N-[2-(4-methylpiperazin-1-yl)propyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine has a molecular weight of 346.40 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-dimethyl-2-N-[2-(4-methylpiperazin-1-yl)propyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 133289533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).