N-(4-tert-butyl-3-fluorophenyl)-6-chloro-2-methylpyrimidin-4-amine

C15H17ClFN3 — CID 58896800

IUPACN-(4-tert-butyl-3-fluorophenyl)-6-chloro-2-methylpyrimidin-4-amine
SMILESCc1nc(Cl)cc(Nc2ccc(C(C)(C)C)c(F)c2)n1
InChIInChI=1S/C15H17ClFN3/c1-9-18-13(16)8-14(19-9)20-10-5-6-11(12(17)7-10)15(2,3)4/h5-8H,1-4H3,(H,18,19,20)
InChIKeyHDEDDMITYMRYBA-UHFFFAOYSA-N
MW293.77 g/mol
LogP4.62
Rot. Bonds2

About N-(4-tert-butyl-3-fluorophenyl)-6-chloro-2-methylpyrimidin-4-amine

N-(4-tert-butyl-3-fluorophenyl)-6-chloro-2-methylpyrimidin-4-amine (PubChem CID 58896800) has the molecular formula C15H17ClFN3 and a molecular weight of 293.77 g/mol. Its IUPAC name is N-(4-tert-butyl-3-fluorophenyl)-6-chloro-2-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(4-tert-butyl-3-fluorophenyl)-6-chloro-2-methylpyrimidin-4-amine
PubChem CID58896800
Molecular FormulaC15H17ClFN3
Molecular Weight293.77 g/mol
Exact Mass293.11
IUPAC NameN-(4-tert-butyl-3-fluorophenyl)-6-chloro-2-methylpyrimidin-4-amine
SMILESCc1nc(Cl)cc(Nc2ccc(C(C)(C)C)c(F)c2)n1
InChIInChI=1S/C15H17ClFN3/c1-9-18-13(16)8-14(19-9)20-10-5-6-11(12(17)7-10)15(2,3)4/h5-8H,1-4H3,(H,18,19,20)
InChIKeyHDEDDMITYMRYBA-UHFFFAOYSA-N
XLogP4.62
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.77
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromo-3-fluorophenyl)-6-chloro-2-methylpyrimidin-4-amine
CID 65436407
N-(4-chloro-3-fluorophenyl)-6-hydrazinyl-2-methylpyrimidin-4-amine
CID 80897072
6-N-(3-chlorophenyl)-4-N-(3,4-difluorophenyl)-2-methylpyrimidine-4,6-diamine
CID 112878014
6-chloro-2-methyl-N-(4-propan-2-ylphenyl)pyrimidin-4-amine
CID 63549748
N-(6-bromonaphthalen-2-yl)-6-chloro-2-methylpyrimidin-4-amine
CID 81259369
4-N-(3,4-difluorophenyl)-6-N,2-dimethylpyrimidine-4,6-diamine
CID 80762879
6-chloro-N-(3-chloro-4-methoxyphenyl)-2-methylpyrimidin-4-amine
CID 62480912
2-chloro-6-(3-fluoro-4-methylanilino)pyridine-4-carbonitrile
CID 83074701
6-chloro-2-ethyl-N-(3-fluoro-4-methylphenyl)pyrimidin-4-amine
CID 80943528
6-chloro-N-(2-fluoro-5-methylphenyl)-2-methylpyrimidin-4-amine
CID 62481306
N-(4-bromo-3-fluorophenyl)-6-chloro-2-methylsulfanylpyrimidin-4-amine
CID 80546836
4-N,6-N-bis(4-fluorophenyl)-2-methylpyrimidine-4,6-diamine
CID 112877864

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butyl-3-fluorophenyl)-6-chloro-2-methylpyrimidin-4-amine?
The IUPAC name of N-(4-tert-butyl-3-fluorophenyl)-6-chloro-2-methylpyrimidin-4-amine (CID 58896800) is N-(4-tert-butyl-3-fluorophenyl)-6-chloro-2-methylpyrimidin-4-amine.
What is the SMILES notation for N-(4-tert-butyl-3-fluorophenyl)-6-chloro-2-methylpyrimidin-4-amine?
The canonical SMILES for N-(4-tert-butyl-3-fluorophenyl)-6-chloro-2-methylpyrimidin-4-amine is Cc1nc(Cl)cc(Nc2ccc(C(C)(C)C)c(F)c2)n1.
What is the InChIKey of N-(4-tert-butyl-3-fluorophenyl)-6-chloro-2-methylpyrimidin-4-amine?
The InChIKey is HDEDDMITYMRYBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClFN3/c1-9-18-13(16)8-14(19-9)20-10-5-6-11(12(17)7-10)15(2,3)4/h5-8H,1-4H3,(H,18,19,20).
What are the key properties of N-(4-tert-butyl-3-fluorophenyl)-6-chloro-2-methylpyrimidin-4-amine?
N-(4-tert-butyl-3-fluorophenyl)-6-chloro-2-methylpyrimidin-4-amine has a molecular weight of 293.77 g/mol, XLogP of 4.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butyl-3-fluorophenyl)-6-chloro-2-methylpyrimidin-4-amine is sourced from PubChem (CID 58896800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).