2-N-[3,4-bis(trifluoromethyl)phenyl]-5-methylpyrimidine-2,4-diamine

C13H10F6N4 — CID 141275118

IUPAC2-N-[3,4-bis(trifluoromethyl)phenyl]-5-methylpyrimidine-2,4-diamine
SMILESCc1cnc(Nc2ccc(C(F)(F)F)c(C(F)(F)F)c2)nc1N
InChIInChI=1S/C13H10F6N4/c1-6-5-21-11(23-10(6)20)22-7-2-3-8(12(14,15)16)9(4-7)13(17,18)19/h2-5H,1H3,(H3,20,21,22,23)
InChIKeyWRIREBQIMSIRAW-UHFFFAOYSA-N
MW336.24 g/mol
LogP4.15
Rot. Bonds2

About 2-N-[3,4-bis(trifluoromethyl)phenyl]-5-methylpyrimidine-2,4-diamine

2-N-[3,4-bis(trifluoromethyl)phenyl]-5-methylpyrimidine-2,4-diamine (PubChem CID 141275118) has the molecular formula C13H10F6N4 and a molecular weight of 336.24 g/mol. Its IUPAC name is 2-N-[3,4-bis(trifluoromethyl)phenyl]-5-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-[3,4-bis(trifluoromethyl)phenyl]-5-methylpyrimidine-2,4-diamine
PubChem CID141275118
Molecular FormulaC13H10F6N4
Molecular Weight336.24 g/mol
Exact Mass336.08
IUPAC Name2-N-[3,4-bis(trifluoromethyl)phenyl]-5-methylpyrimidine-2,4-diamine
SMILESCc1cnc(Nc2ccc(C(F)(F)F)c(C(F)(F)F)c2)nc1N
InChIInChI=1S/C13H10F6N4/c1-6-5-21-11(23-10(6)20)22-7-2-3-8(12(14,15)16)9(4-7)13(17,18)19/h2-5H,1H3,(H3,20,21,22,23)
InChIKeyWRIREBQIMSIRAW-UHFFFAOYSA-N
XLogP4.15
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.24
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-[4-methyl-5-(trifluoromethyl)pyrimidin-2-yl]benzene-1,4-diamine
CID 89383731
5-methyl-2-N-(6-methylsulfonyl-3-pyridinyl)pyrimidine-2,4-diamine
CID 141275069
4-N-[4-bromo-3-(trifluoromethyl)phenyl]-5-methylpyrimidine-2,4-diamine
CID 80840874
2-N-(1,3-benzodioxol-5-yl)-5-methylpyrimidine-2,4-diamine;4-N-(1,3-benzodioxol-5-yl)-5-methylpyrimidine-2,4-diamine
CID 159014037
2-N-(5-methyl-1H-pyrazol-3-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 154274920
2-N-[4-fluoro-3-(trifluoromethyl)phenyl]-3-methylpyridine-2,5-diamine
CID 62477062
2-N-[4-bromo-3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 116796985
5-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-N-[3-methyl-4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;hydrochloride
CID 140518377
6-chloro-4-N-methyl-2-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine
CID 80791134
2-N,4-N-bis(3-amino-4-methylphenyl)-5-fluoropyrimidine-2,4-diamine
CID 22060880
6-N-methyl-4-N-[4-methyl-3-(trifluoromethyl)phenyl]pyrimidine-2,4,6-triamine
CID 80791340
6-hydrazinyl-N-[4-methyl-3-(trifluoromethyl)phenyl]pyrazin-2-amine
CID 80903825

Frequently Asked Questions

What is the IUPAC name of 2-N-[3,4-bis(trifluoromethyl)phenyl]-5-methylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-[3,4-bis(trifluoromethyl)phenyl]-5-methylpyrimidine-2,4-diamine (CID 141275118) is 2-N-[3,4-bis(trifluoromethyl)phenyl]-5-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-[3,4-bis(trifluoromethyl)phenyl]-5-methylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-[3,4-bis(trifluoromethyl)phenyl]-5-methylpyrimidine-2,4-diamine is Cc1cnc(Nc2ccc(C(F)(F)F)c(C(F)(F)F)c2)nc1N.
What is the InChIKey of 2-N-[3,4-bis(trifluoromethyl)phenyl]-5-methylpyrimidine-2,4-diamine?
The InChIKey is WRIREBQIMSIRAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F6N4/c1-6-5-21-11(23-10(6)20)22-7-2-3-8(12(14,15)16)9(4-7)13(17,18)19/h2-5H,1H3,(H3,20,21,22,23).
What are the key properties of 2-N-[3,4-bis(trifluoromethyl)phenyl]-5-methylpyrimidine-2,4-diamine?
2-N-[3,4-bis(trifluoromethyl)phenyl]-5-methylpyrimidine-2,4-diamine has a molecular weight of 336.24 g/mol, XLogP of 4.15, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[3,4-bis(trifluoromethyl)phenyl]-5-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 141275118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).