4-N-pyridin-3-yl-6-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine

C16H12F3N5 — CID 71286698

IUPAC4-N-pyridin-3-yl-6-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
SMILESNc1nc(Nc2cccnc2)cc(-c2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C16H12F3N5/c17-16(18,19)11-4-1-3-10(7-11)13-8-14(24-15(20)23-13)22-12-5-2-6-21-9-12/h1-9H,(H3,20,22,23,24)
InChIKeyRVQUILKJCCSEQV-UHFFFAOYSA-N
MW331.30 g/mol
LogP3.88
Rot. Bonds3

About 4-N-pyridin-3-yl-6-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine

4-N-pyridin-3-yl-6-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine (PubChem CID 71286698) has the molecular formula C16H12F3N5 and a molecular weight of 331.30 g/mol. Its IUPAC name is 4-N-pyridin-3-yl-6-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-pyridin-3-yl-6-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
PubChem CID71286698
Molecular FormulaC16H12F3N5
Molecular Weight331.30 g/mol
Exact Mass331.10
IUPAC Name4-N-pyridin-3-yl-6-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
SMILESNc1nc(Nc2cccnc2)cc(-c2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C16H12F3N5/c17-16(18,19)11-4-1-3-10(7-11)13-8-14(24-15(20)23-13)22-12-5-2-6-21-9-12/h1-9H,(H3,20,22,23,24)
InChIKeyRVQUILKJCCSEQV-UHFFFAOYSA-N
XLogP3.88
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.30
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-phenoxyphenyl)-2-pyridin-3-yl-6-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 3282642
6-N-[2-amino-6-(3-fluorophenyl)pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]quinoline-4,6-diamine
CID 22643185
N-(4-methoxyphenyl)-2-methyl-6-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 3954774
N-pyridin-3-yl-2-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]propanamide
CID 58484049
4-methyl-6-pyridin-3-yl-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine
CID 149220337
6-[3,5-bis(trifluoromethyl)phenyl]-4-N-methylpyrimidine-2,4-diamine
CID 90189586
CID 89039994
CID 89039994
5-(aminomethyl)-4-pyridin-3-yl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
CID 88887698
4-N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-6-pyridin-3-ylpyrimidine-2,4-diamine
CID 177372804
6-chloro-2-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine
CID 80762662
4-(4-methylpiperazin-1-yl)-6-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine
CID 11267697
6-pyridin-3-ylpyrimidine-2,4-diamine
CID 90189944

Frequently Asked Questions

What is the IUPAC name of 4-N-pyridin-3-yl-6-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-pyridin-3-yl-6-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine (CID 71286698) is 4-N-pyridin-3-yl-6-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-pyridin-3-yl-6-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-pyridin-3-yl-6-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine is Nc1nc(Nc2cccnc2)cc(-c2cccc(C(F)(F)F)c2)n1.
What is the InChIKey of 4-N-pyridin-3-yl-6-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine?
The InChIKey is RVQUILKJCCSEQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N5/c17-16(18,19)11-4-1-3-10(7-11)13-8-14(24-15(20)23-13)22-12-5-2-6-21-9-12/h1-9H,(H3,20,22,23,24).
What are the key properties of 4-N-pyridin-3-yl-6-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine?
4-N-pyridin-3-yl-6-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine has a molecular weight of 331.30 g/mol, XLogP of 3.88, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-pyridin-3-yl-6-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 71286698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).