2-N-[(4-fluorophenyl)methyl]-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine

C18H14F4N4 — CID 112891595

IUPAC2-N-[(4-fluorophenyl)methyl]-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
SMILESFc1ccc(CNc2nccc(Nc3ccc(C(F)(F)F)cc3)n2)cc1
InChIInChI=1S/C18H14F4N4/c19-14-5-1-12(2-6-14)11-24-17-23-10-9-16(26-17)25-15-7-3-13(4-8-15)18(20,21)22/h1-10H,11H2,(H2,23,24,25,26)
InChIKeyIMOVDVVXYKUPAM-UHFFFAOYSA-N
MW362.33 g/mol
LogP4.99
Rot. Bonds5

About 2-N-[(4-fluorophenyl)methyl]-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine

2-N-[(4-fluorophenyl)methyl]-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine (PubChem CID 112891595) has the molecular formula C18H14F4N4 and a molecular weight of 362.33 g/mol. Its IUPAC name is 2-N-[(4-fluorophenyl)methyl]-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-[(4-fluorophenyl)methyl]-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
PubChem CID112891595
Molecular FormulaC18H14F4N4
Molecular Weight362.33 g/mol
Exact Mass362.12
IUPAC Name2-N-[(4-fluorophenyl)methyl]-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
SMILESFc1ccc(CNc2nccc(Nc3ccc(C(F)(F)F)cc3)n2)cc1
InChIInChI=1S/C18H14F4N4/c19-14-5-1-12(2-6-14)11-24-17-23-10-9-16(26-17)25-15-7-3-13(4-8-15)18(20,21)22/h1-10H,11H2,(H2,23,24,25,26)
InChIKeyIMOVDVVXYKUPAM-UHFFFAOYSA-N
XLogP4.99
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.33
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-[(4-methoxyphenyl)methyl]-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 112892604
3-N-[(4-fluorophenyl)methyl]-5-N-[4-(trifluoromethyl)phenyl]-1,2,4-triazine-3,5-diamine
CID 112950131
4-N-(3,5-dichlorophenyl)-2-N-[(4-fluorophenyl)methyl]pyrimidine-2,4-diamine
CID 112891626
4-N-[4-chloro-2-(trifluoromethyl)phenyl]-2-N-[(4-fluorophenyl)methyl]pyrimidine-2,4-diamine
CID 112891621
acetylene;1-[[4-(4-fluoroanilino)pyrimidin-2-yl]amino]-2-methylpropan-2-ol
CID 143131648
4-N-(3-bromophenyl)-2-N-[(4-fluorophenyl)methyl]pyrimidine-2,4-diamine
CID 112891612
4-N-[(4-fluorophenyl)methyl]-2-N-phenylpyrimidine-2,4-diamine
CID 112891413
2-N-(4-tert-butylphenyl)-4-N-[2-(4-fluorophenyl)ethyl]pyrimidine-2,4-diamine
CID 112894726
2-N-tert-butyl-4-N-[(4-fluorophenyl)methyl]pyrimidine-2,4-diamine
CID 112891399
2-N-(3,5-dimethylphenyl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 112902638
4-N-(4-tert-butylphenyl)-2-N-[(3,4-dimethoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 112897317
3-N-[2-(4-fluorophenyl)ethyl]-5-N-[4-(trifluoromethyl)phenyl]-1,2,4-triazine-3,5-diamine
CID 112953849

Frequently Asked Questions

What is the IUPAC name of 2-N-[(4-fluorophenyl)methyl]-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine?
The IUPAC name of 2-N-[(4-fluorophenyl)methyl]-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine (CID 112891595) is 2-N-[(4-fluorophenyl)methyl]-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-[(4-fluorophenyl)methyl]-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-[(4-fluorophenyl)methyl]-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine is Fc1ccc(CNc2nccc(Nc3ccc(C(F)(F)F)cc3)n2)cc1.
What is the InChIKey of 2-N-[(4-fluorophenyl)methyl]-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine?
The InChIKey is IMOVDVVXYKUPAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F4N4/c19-14-5-1-12(2-6-14)11-24-17-23-10-9-16(26-17)25-15-7-3-13(4-8-15)18(20,21)22/h1-10H,11H2,(H2,23,24,25,26).
What are the key properties of 2-N-[(4-fluorophenyl)methyl]-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine?
2-N-[(4-fluorophenyl)methyl]-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine has a molecular weight of 362.33 g/mol, XLogP of 4.99, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(4-fluorophenyl)methyl]-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 112891595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).