4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine

C11H9F3N4 — CID 80759240

IUPAC4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
SMILESNc1cc(Nc2ccc(C(F)(F)F)cc2)ncn1
InChIInChI=1S/C11H9F3N4/c12-11(13,14)7-1-3-8(4-2-7)18-10-5-9(15)16-6-17-10/h1-6H,(H3,15,16,17,18)
InChIKeyDSTNYHJSJYJWPS-UHFFFAOYSA-N
MW254.22 g/mol
LogP2.82
Rot. Bonds2

About 4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine

4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine (PubChem CID 80759240) has the molecular formula C11H9F3N4 and a molecular weight of 254.22 g/mol. Its IUPAC name is 4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
PubChem CID80759240
Molecular FormulaC11H9F3N4
Molecular Weight254.22 g/mol
Exact Mass254.08
IUPAC Name4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
SMILESNc1cc(Nc2ccc(C(F)(F)F)cc2)ncn1
InChIInChI=1S/C11H9F3N4/c12-11(13,14)7-1-3-8(4-2-7)18-10-5-9(15)16-6-17-10/h1-6H,(H3,15,16,17,18)
InChIKeyDSTNYHJSJYJWPS-UHFFFAOYSA-N
XLogP2.82
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.22
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine?
The IUPAC name of 4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine (CID 80759240) is 4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine is Nc1cc(Nc2ccc(C(F)(F)F)cc2)ncn1.
What is the InChIKey of 4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine?
The InChIKey is DSTNYHJSJYJWPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N4/c12-11(13,14)7-1-3-8(4-2-7)18-10-5-9(15)16-6-17-10/h1-6H,(H3,15,16,17,18).
What are the key properties of 4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine?
4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine has a molecular weight of 254.22 g/mol, XLogP of 2.82, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 80759240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).