4-N-quinolin-8-yl-6-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine

C20H14F3N5 — CID 112866611

IUPAC4-N-quinolin-8-yl-6-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
SMILESFC(F)(F)c1ccc(Nc2cc(Nc3cccc4cccnc34)ncn2)cc1
InChIInChI=1S/C20H14F3N5/c21-20(22,23)14-6-8-15(9-7-14)27-17-11-18(26-12-25-17)28-16-5-1-3-13-4-2-10-24-19(13)16/h1-12H,(H2,25,26,27,28)
InChIKeyCNUHLDKBRGIBDC-UHFFFAOYSA-N
MW381.36 g/mol
LogP5.53
Rot. Bonds4

About 4-N-quinolin-8-yl-6-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine

4-N-quinolin-8-yl-6-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine (PubChem CID 112866611) has the molecular formula C20H14F3N5 and a molecular weight of 381.36 g/mol. Its IUPAC name is 4-N-quinolin-8-yl-6-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-quinolin-8-yl-6-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
PubChem CID112866611
Molecular FormulaC20H14F3N5
Molecular Weight381.36 g/mol
Exact Mass381.12
IUPAC Name4-N-quinolin-8-yl-6-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
SMILESFC(F)(F)c1ccc(Nc2cc(Nc3cccc4cccnc34)ncn2)cc1
InChIInChI=1S/C20H14F3N5/c21-20(22,23)14-6-8-15(9-7-14)27-17-11-18(26-12-25-17)28-16-5-1-3-13-4-2-10-24-19(13)16/h1-12H,(H2,25,26,27,28)
InChIKeyCNUHLDKBRGIBDC-UHFFFAOYSA-N
XLogP5.53
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.36
LogP ≤ 55.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-quinolin-8-yl-6-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 112866573
4-N-quinolin-8-yl-6-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine
CID 19144821
6-N-(4-ethylphenyl)-4-N-quinolin-8-ylpyrimidine-4,6-diamine
CID 112865422
N-[4-[[6-(quinolin-8-ylamino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 112866755
6-N-(4-pyrrolidin-1-ylphenyl)-4-N-quinolin-8-ylpyrimidine-4,6-diamine
CID 112866920
6-N-quinolin-8-yl-4-N-(2,3,4-trifluorophenyl)pyrimidine-4,6-diamine
CID 112867081
4-N-(3,4-difluorophenyl)-6-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 112866617
6-N-(4-ethylphenyl)-2-methyl-4-N-quinolin-8-ylpyrimidine-4,6-diamine
CID 112877598
4-N-propan-2-yl-6-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 112854627
4-N-(5-chloro-2-methoxyphenyl)-6-N-quinolin-8-ylpyrimidine-4,6-diamine
CID 112866059
6-N-[(4-methylphenyl)methyl]-4-N-quinolin-8-ylpyrimidine-4,6-diamine
CID 112859264
4-N-cyclopropyl-6-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 67695034

Frequently Asked Questions

What is the IUPAC name of 4-N-quinolin-8-yl-6-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine?
The IUPAC name of 4-N-quinolin-8-yl-6-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine (CID 112866611) is 4-N-quinolin-8-yl-6-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-quinolin-8-yl-6-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-quinolin-8-yl-6-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine is FC(F)(F)c1ccc(Nc2cc(Nc3cccc4cccnc34)ncn2)cc1.
What is the InChIKey of 4-N-quinolin-8-yl-6-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine?
The InChIKey is CNUHLDKBRGIBDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F3N5/c21-20(22,23)14-6-8-15(9-7-14)27-17-11-18(26-12-25-17)28-16-5-1-3-13-4-2-10-24-19(13)16/h1-12H,(H2,25,26,27,28).
What are the key properties of 4-N-quinolin-8-yl-6-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine?
4-N-quinolin-8-yl-6-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine has a molecular weight of 381.36 g/mol, XLogP of 5.53, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-quinolin-8-yl-6-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 112866611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).