4-N-cyclopropyl-2-N-quinoxalin-6-yl-5-(trifluoromethyl)pyrimidine-2,4-diamine

C16H13F3N6 — CID 118905729

IUPAC4-N-cyclopropyl-2-N-quinoxalin-6-yl-5-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESFC(F)(F)c1cnc(Nc2ccc3nccnc3c2)nc1NC1CC1
InChIInChI=1S/C16H13F3N6/c17-16(18,19)11-8-22-15(25-14(11)23-9-1-2-9)24-10-3-4-12-13(7-10)21-6-5-20-12/h3-9H,1-2H2,(H2,22,23,24,25)
InChIKeyNEDPKPBACOHQAY-UHFFFAOYSA-N
MW346.32 g/mol
LogP3.76
Rot. Bonds4

About 4-N-cyclopropyl-2-N-quinoxalin-6-yl-5-(trifluoromethyl)pyrimidine-2,4-diamine

4-N-cyclopropyl-2-N-quinoxalin-6-yl-5-(trifluoromethyl)pyrimidine-2,4-diamine (PubChem CID 118905729) has the molecular formula C16H13F3N6 and a molecular weight of 346.32 g/mol. Its IUPAC name is 4-N-cyclopropyl-2-N-quinoxalin-6-yl-5-(trifluoromethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-cyclopropyl-2-N-quinoxalin-6-yl-5-(trifluoromethyl)pyrimidine-2,4-diamine
PubChem CID118905729
Molecular FormulaC16H13F3N6
Molecular Weight346.32 g/mol
Exact Mass346.12
IUPAC Name4-N-cyclopropyl-2-N-quinoxalin-6-yl-5-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESFC(F)(F)c1cnc(Nc2ccc3nccnc3c2)nc1NC1CC1
InChIInChI=1S/C16H13F3N6/c17-16(18,19)11-8-22-15(25-14(11)23-9-1-2-9)24-10-3-4-12-13(7-10)21-6-5-20-12/h3-9H,1-2H2,(H2,22,23,24,25)
InChIKeyNEDPKPBACOHQAY-UHFFFAOYSA-N
XLogP3.76
TPSA75.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.32
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-N-cyclopropyl-2-N-quinoxalin-6-yl-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-cyclopropyl-2-N-quinoxalin-6-yl-5-(trifluoromethyl)pyrimidine-2,4-diamine (CID 118905729) is 4-N-cyclopropyl-2-N-quinoxalin-6-yl-5-(trifluoromethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-cyclopropyl-2-N-quinoxalin-6-yl-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-cyclopropyl-2-N-quinoxalin-6-yl-5-(trifluoromethyl)pyrimidine-2,4-diamine is FC(F)(F)c1cnc(Nc2ccc3nccnc3c2)nc1NC1CC1.
What is the InChIKey of 4-N-cyclopropyl-2-N-quinoxalin-6-yl-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The InChIKey is NEDPKPBACOHQAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N6/c17-16(18,19)11-8-22-15(25-14(11)23-9-1-2-9)24-10-3-4-12-13(7-10)21-6-5-20-12/h3-9H,1-2H2,(H2,22,23,24,25).
What are the key properties of 4-N-cyclopropyl-2-N-quinoxalin-6-yl-5-(trifluoromethyl)pyrimidine-2,4-diamine?
4-N-cyclopropyl-2-N-quinoxalin-6-yl-5-(trifluoromethyl)pyrimidine-2,4-diamine has a molecular weight of 346.32 g/mol, XLogP of 3.76, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclopropyl-2-N-quinoxalin-6-yl-5-(trifluoromethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 118905729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).