6-N-(2-pyridin-2-ylethyl)-4-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine

C18H16F3N5O — CID 117091899

IUPAC6-N-(2-pyridin-2-ylethyl)-4-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine
SMILESFC(F)(F)Oc1ccc(Nc2cc(NCCc3ccccn3)ncn2)cc1
InChIInChI=1S/C18H16F3N5O/c19-18(20,21)27-15-6-4-14(5-7-15)26-17-11-16(24-12-25-17)23-10-8-13-3-1-2-9-22-13/h1-7,9,11-12H,8,10H2,(H2,23,24,25,26)
InChIKeyOXRDHOKOLQJCOJ-UHFFFAOYSA-N
MW375.35 g/mol
LogP4.17
Rot. Bonds7

About 6-N-(2-pyridin-2-ylethyl)-4-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine

6-N-(2-pyridin-2-ylethyl)-4-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine (PubChem CID 117091899) has the molecular formula C18H16F3N5O and a molecular weight of 375.35 g/mol. Its IUPAC name is 6-N-(2-pyridin-2-ylethyl)-4-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-(2-pyridin-2-ylethyl)-4-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine
PubChem CID117091899
Molecular FormulaC18H16F3N5O
Molecular Weight375.35 g/mol
Exact Mass375.13
IUPAC Name6-N-(2-pyridin-2-ylethyl)-4-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine
SMILESFC(F)(F)Oc1ccc(Nc2cc(NCCc3ccccn3)ncn2)cc1
InChIInChI=1S/C18H16F3N5O/c19-18(20,21)27-15-6-4-14(5-7-15)26-17-11-16(24-12-25-17)23-10-8-13-3-1-2-9-22-13/h1-7,9,11-12H,8,10H2,(H2,23,24,25,26)
InChIKeyOXRDHOKOLQJCOJ-UHFFFAOYSA-N
XLogP4.17
TPSA71.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.35
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-(2-pyridin-2-ylethyl)pyrimidine-4,6-diamine
CID 78929798
N-(4-phenoxyphenyl)-6-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine
CID 171989336
2-pyridin-2-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]ethanamine
CID 28579124
4-N-propan-2-yl-6-N-(2-pyridin-2-ylethyl)pyrimidine-4,6-diamine
CID 115265848
4-N-(4-bromophenyl)-6-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine
CID 112860644
6-[4-(2-aminoethoxy)phenyl]-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine
CID 166112975
6-propan-2-yl-N-(2-pyridin-2-ylethyl)pyrimidin-4-amine
CID 61240928
2-N-(4-methoxyphenyl)-6-methyl-4-N-(2-pyridin-2-ylethyl)pyrimidine-2,4-diamine
CID 117083512
4-N-(4-bromophenyl)-6-N-[2-(2-fluorophenyl)ethyl]pyrimidine-4,6-diamine
CID 112861329
ethyl 4-[[6-(pyridin-2-ylmethylamino)pyrimidin-4-yl]amino]benzoate
CID 112860689
N-[4-[6-[4-(trifluoromethoxy)anilino]pyrimidin-4-yl]phenyl]methanesulfonamide
CID 42628828
4-N-(3,5-dichlorophenyl)-6-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine
CID 112860699

Frequently Asked Questions

What is the IUPAC name of 6-N-(2-pyridin-2-ylethyl)-4-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine?
The IUPAC name of 6-N-(2-pyridin-2-ylethyl)-4-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine (CID 117091899) is 6-N-(2-pyridin-2-ylethyl)-4-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-(2-pyridin-2-ylethyl)-4-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-(2-pyridin-2-ylethyl)-4-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine is FC(F)(F)Oc1ccc(Nc2cc(NCCc3ccccn3)ncn2)cc1.
What is the InChIKey of 6-N-(2-pyridin-2-ylethyl)-4-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine?
The InChIKey is OXRDHOKOLQJCOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N5O/c19-18(20,21)27-15-6-4-14(5-7-15)26-17-11-16(24-12-25-17)23-10-8-13-3-1-2-9-22-13/h1-7,9,11-12H,8,10H2,(H2,23,24,25,26).
What are the key properties of 6-N-(2-pyridin-2-ylethyl)-4-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine?
6-N-(2-pyridin-2-ylethyl)-4-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine has a molecular weight of 375.35 g/mol, XLogP of 4.17, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(2-pyridin-2-ylethyl)-4-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 117091899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).