6-N-[2-chloro-5-(trifluoromethyl)phenyl]-4-N-propan-2-ylpyrimidine-4,5,6-triamine

C14H15ClF3N5 — CID 22541138

IUPAC6-N-[2-chloro-5-(trifluoromethyl)phenyl]-4-N-propan-2-ylpyrimidine-4,5,6-triamine
SMILESCC(C)Nc1ncnc(Nc2cc(C(F)(F)F)ccc2Cl)c1N
InChIInChI=1S/C14H15ClF3N5/c1-7(2)22-12-11(19)13(21-6-20-12)23-10-5-8(14(16,17)18)3-4-9(10)15/h3-7H,19H2,1-2H3,(H2,20,21,22,23)
InChIKeyFMDZQIHFCWHTSQ-UHFFFAOYSA-N
MW345.76 g/mol
LogP4.29
Rot. Bonds4

About 6-N-[2-chloro-5-(trifluoromethyl)phenyl]-4-N-propan-2-ylpyrimidine-4,5,6-triamine

6-N-[2-chloro-5-(trifluoromethyl)phenyl]-4-N-propan-2-ylpyrimidine-4,5,6-triamine (PubChem CID 22541138) has the molecular formula C14H15ClF3N5 and a molecular weight of 345.76 g/mol. Its IUPAC name is 6-N-[2-chloro-5-(trifluoromethyl)phenyl]-4-N-propan-2-ylpyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name6-N-[2-chloro-5-(trifluoromethyl)phenyl]-4-N-propan-2-ylpyrimidine-4,5,6-triamine
PubChem CID22541138
Molecular FormulaC14H15ClF3N5
Molecular Weight345.76 g/mol
Exact Mass345.10
IUPAC Name6-N-[2-chloro-5-(trifluoromethyl)phenyl]-4-N-propan-2-ylpyrimidine-4,5,6-triamine
SMILESCC(C)Nc1ncnc(Nc2cc(C(F)(F)F)ccc2Cl)c1N
InChIInChI=1S/C14H15ClF3N5/c1-7(2)22-12-11(19)13(21-6-20-12)23-10-5-8(14(16,17)18)3-4-9(10)15/h3-7H,19H2,1-2H3,(H2,20,21,22,23)
InChIKeyFMDZQIHFCWHTSQ-UHFFFAOYSA-N
XLogP4.29
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.76
LogP ≤ 54.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-butan-2-yl-6-N-[2-chloro-5-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine
CID 22541308
4-N-[2-chloro-5-(trifluoromethyl)phenyl]-6-N-(3-methylbutyl)pyrimidine-4,5,6-triamine
CID 22541281
4-N-[2-chloro-5-(trifluoromethyl)phenyl]-6-N-(4-fluorophenyl)pyrimidine-4,5,6-triamine
CID 22541228
4-N-[2-chloro-5-(trifluoromethyl)phenyl]-6-N-pyridin-4-ylpyrimidine-4,5,6-triamine
CID 22541112
6-N-(4-bromophenyl)-4-N-[2-chloro-5-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine
CID 22541226
4-N-[2-chloro-5-(trifluoromethyl)phenyl]-6-(2-methylpiperidin-1-yl)pyrimidine-4,5-diamine
CID 22541163
4-N-[2-chloro-5-(trifluoromethyl)phenyl]-6-phenoxypyrimidine-4,5-diamine
CID 22541271
4-[[5-amino-6-[2-chloro-5-(trifluoromethyl)anilino]pyrimidin-4-yl]amino]benzoic acid
CID 22541316
4-N-[2-chloro-5-(trifluoromethyl)phenyl]-6-(4-methylpiperidin-1-yl)pyrimidine-4,5-diamine
CID 22541164
6-chloro-N-[2-chloro-5-(trifluoromethyl)phenyl]-5-ethylpyrimidin-4-amine
CID 63735092
4-N-[2-chloro-5-(trifluoromethyl)phenyl]-6-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidine-4,5-diamine
CID 22541156
2-N-[2-chloro-5-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine
CID 2735891

Frequently Asked Questions

What is the IUPAC name of 6-N-[2-chloro-5-(trifluoromethyl)phenyl]-4-N-propan-2-ylpyrimidine-4,5,6-triamine?
The IUPAC name of 6-N-[2-chloro-5-(trifluoromethyl)phenyl]-4-N-propan-2-ylpyrimidine-4,5,6-triamine (CID 22541138) is 6-N-[2-chloro-5-(trifluoromethyl)phenyl]-4-N-propan-2-ylpyrimidine-4,5,6-triamine.
What is the SMILES notation for 6-N-[2-chloro-5-(trifluoromethyl)phenyl]-4-N-propan-2-ylpyrimidine-4,5,6-triamine?
The canonical SMILES for 6-N-[2-chloro-5-(trifluoromethyl)phenyl]-4-N-propan-2-ylpyrimidine-4,5,6-triamine is CC(C)Nc1ncnc(Nc2cc(C(F)(F)F)ccc2Cl)c1N.
What is the InChIKey of 6-N-[2-chloro-5-(trifluoromethyl)phenyl]-4-N-propan-2-ylpyrimidine-4,5,6-triamine?
The InChIKey is FMDZQIHFCWHTSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClF3N5/c1-7(2)22-12-11(19)13(21-6-20-12)23-10-5-8(14(16,17)18)3-4-9(10)15/h3-7H,19H2,1-2H3,(H2,20,21,22,23).
What are the key properties of 6-N-[2-chloro-5-(trifluoromethyl)phenyl]-4-N-propan-2-ylpyrimidine-4,5,6-triamine?
6-N-[2-chloro-5-(trifluoromethyl)phenyl]-4-N-propan-2-ylpyrimidine-4,5,6-triamine has a molecular weight of 345.76 g/mol, XLogP of 4.29, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[2-chloro-5-(trifluoromethyl)phenyl]-4-N-propan-2-ylpyrimidine-4,5,6-triamine is sourced from PubChem (CID 22541138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).