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

C14H14Cl2FN3 — CID 80948283

IUPAC2-tert-butyl-6-chloro-N-(2-chloro-4-fluorophenyl)pyrimidin-4-amine
SMILESCC(C)(C)c1nc(Cl)cc(Nc2ccc(F)cc2Cl)n1
InChIInChI=1S/C14H14Cl2FN3/c1-14(2,3)13-19-11(16)7-12(20-13)18-10-5-4-8(17)6-9(10)15/h4-7H,1-3H3,(H,18,19,20)
InChIKeyLBDZNVCECAZLBV-UHFFFAOYSA-N
MW314.19 g/mol
LogP4.96
Rot. Bonds2

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

2-tert-butyl-6-chloro-N-(2-chloro-4-fluorophenyl)pyrimidin-4-amine (PubChem CID 80948283) has the molecular formula C14H14Cl2FN3 and a molecular weight of 314.19 g/mol. Its IUPAC name is 2-tert-butyl-6-chloro-N-(2-chloro-4-fluorophenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-tert-butyl-6-chloro-N-(2-chloro-4-fluorophenyl)pyrimidin-4-amine
PubChem CID80948283
Molecular FormulaC14H14Cl2FN3
Molecular Weight314.19 g/mol
Exact Mass313.05
IUPAC Name2-tert-butyl-6-chloro-N-(2-chloro-4-fluorophenyl)pyrimidin-4-amine
SMILESCC(C)(C)c1nc(Cl)cc(Nc2ccc(F)cc2Cl)n1
InChIInChI=1S/C14H14Cl2FN3/c1-14(2,3)13-19-11(16)7-12(20-13)18-10-5-4-8(17)6-9(10)15/h4-7H,1-3H3,(H,18,19,20)
InChIKeyLBDZNVCECAZLBV-UHFFFAOYSA-N
XLogP4.96
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.19
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromo-2-fluorophenyl)-2-tert-butyl-6-chloropyrimidin-4-amine
CID 80948291
2-tert-butyl-6-chloro-N-(2,3-dichlorophenyl)pyrimidin-4-amine
CID 80948773
2-chloro-N-(2-chloro-4-fluorophenyl)-6-methylpyrimidin-4-amine
CID 62477629
2-tert-butyl-6-chloro-N-(3-fluoro-5-methylphenyl)pyrimidin-4-amine
CID 80951235
3-[(2-tert-butyl-6-chloropyrimidin-4-yl)amino]-4-chlorobenzonitrile
CID 80947200
N-(2-chloro-4-fluorophenyl)-6-fluoropyridin-2-amine
CID 61228585
6-N-(2-chloro-4-fluorophenyl)-2-N-methyl-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102716940
2-tert-butyl-4-N-(5-fluoro-2-methylphenyl)-6-N-methylpyrimidine-4,6-diamine
CID 80955594
N,2-ditert-butyl-6-chloropyrimidin-4-amine
CID 80948203
N-(2-bromo-4-fluorophenyl)-6-chloro-2-methylpyrimidin-4-amine
CID 62481305
4-N-(2-chloro-4-fluorophenyl)-2-ethyl-6-N-propylpyrimidine-4,6-diamine
CID 80939052
6-chloro-N-(2-fluoro-4-methylphenyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106766917

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-chloro-N-(2-chloro-4-fluorophenyl)pyrimidin-4-amine?
The IUPAC name of 2-tert-butyl-6-chloro-N-(2-chloro-4-fluorophenyl)pyrimidin-4-amine (CID 80948283) is 2-tert-butyl-6-chloro-N-(2-chloro-4-fluorophenyl)pyrimidin-4-amine.
What is the SMILES notation for 2-tert-butyl-6-chloro-N-(2-chloro-4-fluorophenyl)pyrimidin-4-amine?
The canonical SMILES for 2-tert-butyl-6-chloro-N-(2-chloro-4-fluorophenyl)pyrimidin-4-amine is CC(C)(C)c1nc(Cl)cc(Nc2ccc(F)cc2Cl)n1.
What is the InChIKey of 2-tert-butyl-6-chloro-N-(2-chloro-4-fluorophenyl)pyrimidin-4-amine?
The InChIKey is LBDZNVCECAZLBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2FN3/c1-14(2,3)13-19-11(16)7-12(20-13)18-10-5-4-8(17)6-9(10)15/h4-7H,1-3H3,(H,18,19,20).
What are the key properties of 2-tert-butyl-6-chloro-N-(2-chloro-4-fluorophenyl)pyrimidin-4-amine?
2-tert-butyl-6-chloro-N-(2-chloro-4-fluorophenyl)pyrimidin-4-amine has a molecular weight of 314.19 g/mol, XLogP of 4.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-chloro-N-(2-chloro-4-fluorophenyl)pyrimidin-4-amine is sourced from PubChem (CID 80948283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).