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

C12H11F3N6 — CID 118905970

IUPAC4-N-cyclopropyl-2-N-pyrimidin-5-yl-5-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESFC(F)(F)c1cnc(Nc2cncnc2)nc1NC1CC1
InChIInChI=1S/C12H11F3N6/c13-12(14,15)9-5-18-11(20-8-3-16-6-17-4-8)21-10(9)19-7-1-2-7/h3-7H,1-2H2,(H2,18,19,20,21)
InChIKeyYTUFQLHEZFYTFG-UHFFFAOYSA-N
MW296.26 g/mol
LogP2.60
Rot. Bonds4

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

4-N-cyclopropyl-2-N-pyrimidin-5-yl-5-(trifluoromethyl)pyrimidine-2,4-diamine (PubChem CID 118905970) has the molecular formula C12H11F3N6 and a molecular weight of 296.26 g/mol. Its IUPAC name is 4-N-cyclopropyl-2-N-pyrimidin-5-yl-5-(trifluoromethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-cyclopropyl-2-N-pyrimidin-5-yl-5-(trifluoromethyl)pyrimidine-2,4-diamine
PubChem CID118905970
Molecular FormulaC12H11F3N6
Molecular Weight296.26 g/mol
Exact Mass296.10
IUPAC Name4-N-cyclopropyl-2-N-pyrimidin-5-yl-5-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESFC(F)(F)c1cnc(Nc2cncnc2)nc1NC1CC1
InChIInChI=1S/C12H11F3N6/c13-12(14,15)9-5-18-11(20-8-3-16-6-17-4-8)21-10(9)19-7-1-2-7/h3-7H,1-2H2,(H2,18,19,20,21)
InChIKeyYTUFQLHEZFYTFG-UHFFFAOYSA-N
XLogP2.60
TPSA75.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.26
LogP ≤ 52.60
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-pyrimidin-5-yl-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-cyclopropyl-2-N-pyrimidin-5-yl-5-(trifluoromethyl)pyrimidine-2,4-diamine (CID 118905970) is 4-N-cyclopropyl-2-N-pyrimidin-5-yl-5-(trifluoromethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-cyclopropyl-2-N-pyrimidin-5-yl-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-cyclopropyl-2-N-pyrimidin-5-yl-5-(trifluoromethyl)pyrimidine-2,4-diamine is FC(F)(F)c1cnc(Nc2cncnc2)nc1NC1CC1.
What is the InChIKey of 4-N-cyclopropyl-2-N-pyrimidin-5-yl-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The InChIKey is YTUFQLHEZFYTFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N6/c13-12(14,15)9-5-18-11(20-8-3-16-6-17-4-8)21-10(9)19-7-1-2-7/h3-7H,1-2H2,(H2,18,19,20,21).
What are the key properties of 4-N-cyclopropyl-2-N-pyrimidin-5-yl-5-(trifluoromethyl)pyrimidine-2,4-diamine?
4-N-cyclopropyl-2-N-pyrimidin-5-yl-5-(trifluoromethyl)pyrimidine-2,4-diamine has a molecular weight of 296.26 g/mol, XLogP of 2.60, 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-pyrimidin-5-yl-5-(trifluoromethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 118905970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).