6-N-(2-tert-butylphenyl)-4-N,4-N-diethylpyrimidine-4,6-diamine

C18H26N4 — CID 112863482

IUPAC6-N-(2-tert-butylphenyl)-4-N,4-N-diethylpyrimidine-4,6-diamine
SMILESCCN(CC)c1cc(Nc2ccccc2C(C)(C)C)ncn1
InChIInChI=1S/C18H26N4/c1-6-22(7-2)17-12-16(19-13-20-17)21-15-11-9-8-10-14(15)18(3,4)5/h8-13H,6-7H2,1-5H3,(H,19,20,21)
InChIKeyUAHOAZMHHHSCFJ-UHFFFAOYSA-N
MW298.43 g/mol
LogP4.36
Rot. Bonds5

About 6-N-(2-tert-butylphenyl)-4-N,4-N-diethylpyrimidine-4,6-diamine

6-N-(2-tert-butylphenyl)-4-N,4-N-diethylpyrimidine-4,6-diamine (PubChem CID 112863482) has the molecular formula C18H26N4 and a molecular weight of 298.43 g/mol. Its IUPAC name is 6-N-(2-tert-butylphenyl)-4-N,4-N-diethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-(2-tert-butylphenyl)-4-N,4-N-diethylpyrimidine-4,6-diamine
PubChem CID112863482
Molecular FormulaC18H26N4
Molecular Weight298.43 g/mol
Exact Mass298.22
IUPAC Name6-N-(2-tert-butylphenyl)-4-N,4-N-diethylpyrimidine-4,6-diamine
SMILESCCN(CC)c1cc(Nc2ccccc2C(C)(C)C)ncn1
InChIInChI=1S/C18H26N4/c1-6-22(7-2)17-12-16(19-13-20-17)21-15-11-9-8-10-14(15)18(3,4)5/h8-13H,6-7H2,1-5H3,(H,19,20,21)
InChIKeyUAHOAZMHHHSCFJ-UHFFFAOYSA-N
XLogP4.36
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(2-tert-butylphenyl)-6-N-methylpyrimidine-4,6-diamine
CID 80835461
4-N-(2-tert-butylphenyl)pyrimidine-4,6-diamine
CID 80836348
4-N-tert-butyl-6-N-(2-tert-butylphenyl)pyrimidine-4,6-diamine
CID 112863783
6-N-(3-chloro-2-methylphenyl)-4-N,4-N-diethylpyrimidine-4,6-diamine
CID 112863489
6-N-(2-tert-butylphenyl)-4-N-propan-2-ylpyrimidine-4,6-diamine
CID 112854607
4-N-benzyl-6-N-(2-bromophenyl)-4-N-ethylpyrimidine-4,6-diamine
CID 112860538
ethyl 2-[[6-(diethylamino)pyrimidin-4-yl]amino]benzoate
CID 112863557
4-N,4-N-diethyl-6-N-methylpyrimidine-4,6-diamine
CID 80767008
4-N-benzyl-4-N-methyl-6-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 112859512
6-N-propyl-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 80736803
4-N,4-N-diethyl-6-N-(3-phenylpropyl)pyrimidine-4,6-diamine
CID 112863444
6-N-(3,4-difluorophenyl)-4-N,4-N-diethylpyrimidine-4,6-diamine
CID 112863564

Frequently Asked Questions

What is the IUPAC name of 6-N-(2-tert-butylphenyl)-4-N,4-N-diethylpyrimidine-4,6-diamine?
The IUPAC name of 6-N-(2-tert-butylphenyl)-4-N,4-N-diethylpyrimidine-4,6-diamine (CID 112863482) is 6-N-(2-tert-butylphenyl)-4-N,4-N-diethylpyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-(2-tert-butylphenyl)-4-N,4-N-diethylpyrimidine-4,6-diamine?
The canonical SMILES for 6-N-(2-tert-butylphenyl)-4-N,4-N-diethylpyrimidine-4,6-diamine is CCN(CC)c1cc(Nc2ccccc2C(C)(C)C)ncn1.
What is the InChIKey of 6-N-(2-tert-butylphenyl)-4-N,4-N-diethylpyrimidine-4,6-diamine?
The InChIKey is UAHOAZMHHHSCFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4/c1-6-22(7-2)17-12-16(19-13-20-17)21-15-11-9-8-10-14(15)18(3,4)5/h8-13H,6-7H2,1-5H3,(H,19,20,21).
What are the key properties of 6-N-(2-tert-butylphenyl)-4-N,4-N-diethylpyrimidine-4,6-diamine?
6-N-(2-tert-butylphenyl)-4-N,4-N-diethylpyrimidine-4,6-diamine has a molecular weight of 298.43 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(2-tert-butylphenyl)-4-N,4-N-diethylpyrimidine-4,6-diamine is sourced from PubChem (CID 112863482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).