4-N-tert-butyl-2-N-(2,4-difluorophenyl)pyrimidine-2,4-diamine

C14H16F2N4 — CID 112899771

IUPAC4-N-tert-butyl-2-N-(2,4-difluorophenyl)pyrimidine-2,4-diamine
SMILESCC(C)(C)Nc1ccnc(Nc2ccc(F)cc2F)n1
InChIInChI=1S/C14H16F2N4/c1-14(2,3)20-12-6-7-17-13(19-12)18-11-5-4-9(15)8-10(11)16/h4-8H,1-3H3,(H2,17,18,19,20)
InChIKeyJDLUFCNOZCUBLA-UHFFFAOYSA-N
MW278.31 g/mol
LogP3.71
Rot. Bonds3

About 4-N-tert-butyl-2-N-(2,4-difluorophenyl)pyrimidine-2,4-diamine

4-N-tert-butyl-2-N-(2,4-difluorophenyl)pyrimidine-2,4-diamine (PubChem CID 112899771) has the molecular formula C14H16F2N4 and a molecular weight of 278.31 g/mol. Its IUPAC name is 4-N-tert-butyl-2-N-(2,4-difluorophenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-tert-butyl-2-N-(2,4-difluorophenyl)pyrimidine-2,4-diamine
PubChem CID112899771
Molecular FormulaC14H16F2N4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name4-N-tert-butyl-2-N-(2,4-difluorophenyl)pyrimidine-2,4-diamine
SMILESCC(C)(C)Nc1ccnc(Nc2ccc(F)cc2F)n1
InChIInChI=1S/C14H16F2N4/c1-14(2,3)20-12-6-7-17-13(19-12)18-11-5-4-9(15)8-10(11)16/h4-8H,1-3H3,(H2,17,18,19,20)
InChIKeyJDLUFCNOZCUBLA-UHFFFAOYSA-N
XLogP3.71
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-(2,4-difluorophenyl)-4-N-(3-methoxypropyl)pyrimidine-2,4-diamine
CID 112886150
4-N-tert-butyl-2-N-(2,4-dichlorophenyl)pyrimidine-2,4-diamine
CID 112899779
4-N-(2,4-dichlorophenyl)-2-N-(2,4-difluorophenyl)pyrimidine-2,4-diamine
CID 112906554
N-(2,4-difluorophenyl)-2-hydrazinylpyrimidin-4-amine
CID 80927965
4-N-tert-butyl-2-N-(2,4-difluorophenyl)-6-phenylpyrimidine-2,4-diamine
CID 112937826
2-N-(2,4-difluorophenyl)-4-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-2,4-diamine
CID 112894993
4-N-[(2-chlorophenyl)methyl]-2-N-(2,4-difluorophenyl)pyrimidine-2,4-diamine
CID 112891749
2-N-(2,4-difluorophenyl)-4-N,4-N-diethylpyrimidine-2,4-diamine
CID 112899159
4-N-(2,4-difluorophenyl)-2-N-[3-(dimethylamino)propyl]pyrimidine-2,4-diamine
CID 112887881
2-N-(2-chloro-4,6-dimethylphenyl)-4-N-(2,4-difluorophenyl)pyrimidine-2,4-diamine
CID 112904246
methyl 3-[[2-(2,4-difluoroanilino)pyrimidin-4-yl]amino]benzoate
CID 112905912
ethyl 4-[[2-(2,4-difluoroanilino)pyrimidin-4-yl]amino]benzoate
CID 112906518

Frequently Asked Questions

What is the IUPAC name of 4-N-tert-butyl-2-N-(2,4-difluorophenyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-tert-butyl-2-N-(2,4-difluorophenyl)pyrimidine-2,4-diamine (CID 112899771) is 4-N-tert-butyl-2-N-(2,4-difluorophenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-tert-butyl-2-N-(2,4-difluorophenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-tert-butyl-2-N-(2,4-difluorophenyl)pyrimidine-2,4-diamine is CC(C)(C)Nc1ccnc(Nc2ccc(F)cc2F)n1.
What is the InChIKey of 4-N-tert-butyl-2-N-(2,4-difluorophenyl)pyrimidine-2,4-diamine?
The InChIKey is JDLUFCNOZCUBLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N4/c1-14(2,3)20-12-6-7-17-13(19-12)18-11-5-4-9(15)8-10(11)16/h4-8H,1-3H3,(H2,17,18,19,20).
What are the key properties of 4-N-tert-butyl-2-N-(2,4-difluorophenyl)pyrimidine-2,4-diamine?
4-N-tert-butyl-2-N-(2,4-difluorophenyl)pyrimidine-2,4-diamine has a molecular weight of 278.31 g/mol, XLogP of 3.71, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-tert-butyl-2-N-(2,4-difluorophenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112899771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).