5-[4-[3-[2-(trifluoromethyl)pyrimidin-5-yl]phenyl]piperazin-1-yl]pyrimidine-2,4-diamine

C19H19F3N8 — CID 155568251

IUPAC5-[4-[3-[2-(trifluoromethyl)pyrimidin-5-yl]phenyl]piperazin-1-yl]pyrimidine-2,4-diamine
SMILESNc1ncc(N2CCN(c3cccc(-c4cnc(C(F)(F)F)nc4)c3)CC2)c(N)n1
InChIInChI=1S/C19H19F3N8/c20-19(21,22)17-25-9-13(10-26-17)12-2-1-3-14(8-12)29-4-6-30(7-5-29)15-11-27-18(24)28-16(15)23/h1-3,8-11H,4-7H2,(H4,23,24,27,28)
InChIKeyNUSOKJSAAFOUGX-UHFFFAOYSA-N
MW416.41 g/mol
LogP2.44
Rot. Bonds3

About 5-[4-[3-[2-(trifluoromethyl)pyrimidin-5-yl]phenyl]piperazin-1-yl]pyrimidine-2,4-diamine

5-[4-[3-[2-(trifluoromethyl)pyrimidin-5-yl]phenyl]piperazin-1-yl]pyrimidine-2,4-diamine (PubChem CID 155568251) has the molecular formula C19H19F3N8 and a molecular weight of 416.41 g/mol. Its IUPAC name is 5-[4-[3-[2-(trifluoromethyl)pyrimidin-5-yl]phenyl]piperazin-1-yl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-[4-[3-[2-(trifluoromethyl)pyrimidin-5-yl]phenyl]piperazin-1-yl]pyrimidine-2,4-diamine
PubChem CID155568251
Molecular FormulaC19H19F3N8
Molecular Weight416.41 g/mol
Exact Mass416.17
IUPAC Name5-[4-[3-[2-(trifluoromethyl)pyrimidin-5-yl]phenyl]piperazin-1-yl]pyrimidine-2,4-diamine
SMILESNc1ncc(N2CCN(c3cccc(-c4cnc(C(F)(F)F)nc4)c3)CC2)c(N)n1
InChIInChI=1S/C19H19F3N8/c20-19(21,22)17-25-9-13(10-26-17)12-2-1-3-14(8-12)29-4-6-30(7-5-29)15-11-27-18(24)28-16(15)23/h1-3,8-11H,4-7H2,(H4,23,24,27,28)
InChIKeyNUSOKJSAAFOUGX-UHFFFAOYSA-N
XLogP2.44
TPSA110.08 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.41
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

5-[4-[3-(2-methoxypyrimidin-5-yl)phenyl]piperazin-1-yl]pyrimidine-2,4-diamine;2,2,2-trifluoroacetic acid
CID 155569475
5-[4-(3-pyridazin-3-ylphenyl)piperazin-1-yl]pyrimidine-2,4-diamine
CID 166611752
5-[4-(2-chlorophenyl)piperazin-1-yl]pyrimidine-2,4-diamine
CID 155529844
5-[1-[6-(trifluoromethyl)-3-pyridinyl]piperidin-4-yl]pyrimidine-2,4-diamine;5-[1-[2-(trifluoromethyl)pyrimidin-5-yl]piperidin-4-yl]pyrimidine-2,4-diamine
CID 159087120
5-[4-(3,5-dibromophenyl)piperazin-1-yl]pyrimidine-2,4-diamine;5-[4-(3,5-dimethylphenyl)piperazin-1-yl]pyrimidine-2,4-diamine;methane;methylboronic acid
CID 162041679
3-methyl-5-(3-piperazin-1-ylphenyl)pyridin-2-amine
CID 72877578
5-[4-(6-chloro-3-pyridinyl)piperazin-1-yl]pyrimidine-2,4-diamine;5-[4-(6-methoxy-3-pyridinyl)piperazin-1-yl]pyrimidine-2,4-diamine
CID 159405923
5-(4-chlorophenyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrimidine
CID 4299131
4-[4-(3-chlorophenyl)piperazin-1-yl]-5-methylpyrimidin-2-amine
CID 80757578
5-[3-(trifluoromethoxy)phenyl]pyrimidine-2,4-diamine
CID 22326853
1-methyl-4-[3-(1-methylpyrazol-4-yl)phenyl]piperazine
CID 137468196
4-bromo-2-methyl-5-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyridazin-3-one
CID 133302857

Frequently Asked Questions

What is the IUPAC name of 5-[4-[3-[2-(trifluoromethyl)pyrimidin-5-yl]phenyl]piperazin-1-yl]pyrimidine-2,4-diamine?
The IUPAC name of 5-[4-[3-[2-(trifluoromethyl)pyrimidin-5-yl]phenyl]piperazin-1-yl]pyrimidine-2,4-diamine (CID 155568251) is 5-[4-[3-[2-(trifluoromethyl)pyrimidin-5-yl]phenyl]piperazin-1-yl]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-[4-[3-[2-(trifluoromethyl)pyrimidin-5-yl]phenyl]piperazin-1-yl]pyrimidine-2,4-diamine?
The canonical SMILES for 5-[4-[3-[2-(trifluoromethyl)pyrimidin-5-yl]phenyl]piperazin-1-yl]pyrimidine-2,4-diamine is Nc1ncc(N2CCN(c3cccc(-c4cnc(C(F)(F)F)nc4)c3)CC2)c(N)n1.
What is the InChIKey of 5-[4-[3-[2-(trifluoromethyl)pyrimidin-5-yl]phenyl]piperazin-1-yl]pyrimidine-2,4-diamine?
The InChIKey is NUSOKJSAAFOUGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N8/c20-19(21,22)17-25-9-13(10-26-17)12-2-1-3-14(8-12)29-4-6-30(7-5-29)15-11-27-18(24)28-16(15)23/h1-3,8-11H,4-7H2,(H4,23,24,27,28).
What are the key properties of 5-[4-[3-[2-(trifluoromethyl)pyrimidin-5-yl]phenyl]piperazin-1-yl]pyrimidine-2,4-diamine?
5-[4-[3-[2-(trifluoromethyl)pyrimidin-5-yl]phenyl]piperazin-1-yl]pyrimidine-2,4-diamine has a molecular weight of 416.41 g/mol, XLogP of 2.44, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[3-[2-(trifluoromethyl)pyrimidin-5-yl]phenyl]piperazin-1-yl]pyrimidine-2,4-diamine is sourced from PubChem (CID 155568251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).