2-N-tert-butyl-4-N-[4-chloro-2-(trifluoromethyl)phenyl]-6-methylpyrimidine-2,4-diamine

C16H18ClF3N4 — CID 112924847

IUPAC2-N-tert-butyl-4-N-[4-chloro-2-(trifluoromethyl)phenyl]-6-methylpyrimidine-2,4-diamine
SMILESCc1cc(Nc2ccc(Cl)cc2C(F)(F)F)nc(NC(C)(C)C)n1
InChIInChI=1S/C16H18ClF3N4/c1-9-7-13(23-14(21-9)24-15(2,3)4)22-12-6-5-10(17)8-11(12)16(18,19)20/h5-8H,1-4H3,(H2,21,22,23,24)
InChIKeyKIQBXWYCRRAOSK-UHFFFAOYSA-N
MW358.80 g/mol
LogP5.41
Rot. Bonds3

About 2-N-tert-butyl-4-N-[4-chloro-2-(trifluoromethyl)phenyl]-6-methylpyrimidine-2,4-diamine

2-N-tert-butyl-4-N-[4-chloro-2-(trifluoromethyl)phenyl]-6-methylpyrimidine-2,4-diamine (PubChem CID 112924847) has the molecular formula C16H18ClF3N4 and a molecular weight of 358.80 g/mol. Its IUPAC name is 2-N-tert-butyl-4-N-[4-chloro-2-(trifluoromethyl)phenyl]-6-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-tert-butyl-4-N-[4-chloro-2-(trifluoromethyl)phenyl]-6-methylpyrimidine-2,4-diamine
PubChem CID112924847
Molecular FormulaC16H18ClF3N4
Molecular Weight358.80 g/mol
Exact Mass358.12
IUPAC Name2-N-tert-butyl-4-N-[4-chloro-2-(trifluoromethyl)phenyl]-6-methylpyrimidine-2,4-diamine
SMILESCc1cc(Nc2ccc(Cl)cc2C(F)(F)F)nc(NC(C)(C)C)n1
InChIInChI=1S/C16H18ClF3N4/c1-9-7-13(23-14(21-9)24-15(2,3)4)22-12-6-5-10(17)8-11(12)16(18,19)20/h5-8H,1-4H3,(H2,21,22,23,24)
InChIKeyKIQBXWYCRRAOSK-UHFFFAOYSA-N
XLogP5.41
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.80
LogP ≤ 55.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-tert-butyl-4-N-[4-chloro-3-(trifluoromethyl)phenyl]-6-methylpyrimidine-2,4-diamine
CID 112924846
2-N-[4-chloro-2-(trifluoromethyl)phenyl]-6-methyl-4-N-propylpyrimidine-2,4-diamine
CID 112906982
2-N-tert-butyl-4-N-(2-fluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112924784
4-N-(4-chlorophenyl)-6-methyl-2-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 112929807
N-[4-chloro-2-(trifluoromethyl)phenyl]-6-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine
CID 112914107
2-N-tert-butyl-6-methyl-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 112924811
4-N-(2-bromophenyl)-2-N-tert-butyl-6-methylpyrimidine-2,4-diamine
CID 112924833
4-N-[4-chloro-2-(trifluoromethyl)phenyl]-6-hydrazinylpyrimidine-2,4-diamine
CID 80911630
N-[4-chloro-2-(trifluoromethyl)phenyl]-4-methyl-6-piperidin-1-ylpyrimidin-2-amine
CID 112910131
2-N-butyl-4-N-[4-chloro-2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 112883125
2-N-(2,4-difluorophenyl)-6-methyl-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 112931279
2-N-tert-butyl-6-methyl-4-N-(3-methylphenyl)pyrimidine-2,4-diamine
CID 112924762

Frequently Asked Questions

What is the IUPAC name of 2-N-tert-butyl-4-N-[4-chloro-2-(trifluoromethyl)phenyl]-6-methylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-tert-butyl-4-N-[4-chloro-2-(trifluoromethyl)phenyl]-6-methylpyrimidine-2,4-diamine (CID 112924847) is 2-N-tert-butyl-4-N-[4-chloro-2-(trifluoromethyl)phenyl]-6-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-tert-butyl-4-N-[4-chloro-2-(trifluoromethyl)phenyl]-6-methylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-tert-butyl-4-N-[4-chloro-2-(trifluoromethyl)phenyl]-6-methylpyrimidine-2,4-diamine is Cc1cc(Nc2ccc(Cl)cc2C(F)(F)F)nc(NC(C)(C)C)n1.
What is the InChIKey of 2-N-tert-butyl-4-N-[4-chloro-2-(trifluoromethyl)phenyl]-6-methylpyrimidine-2,4-diamine?
The InChIKey is KIQBXWYCRRAOSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClF3N4/c1-9-7-13(23-14(21-9)24-15(2,3)4)22-12-6-5-10(17)8-11(12)16(18,19)20/h5-8H,1-4H3,(H2,21,22,23,24).
What are the key properties of 2-N-tert-butyl-4-N-[4-chloro-2-(trifluoromethyl)phenyl]-6-methylpyrimidine-2,4-diamine?
2-N-tert-butyl-4-N-[4-chloro-2-(trifluoromethyl)phenyl]-6-methylpyrimidine-2,4-diamine has a molecular weight of 358.80 g/mol, XLogP of 5.41, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-tert-butyl-4-N-[4-chloro-2-(trifluoromethyl)phenyl]-6-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 112924847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).