4-N-tert-butyl-6-N-(2-tert-butylphenyl)pyrimidine-4,6-diamine

C18H26N4 — CID 112863783

IUPAC4-N-tert-butyl-6-N-(2-tert-butylphenyl)pyrimidine-4,6-diamine
SMILESCC(C)(C)Nc1cc(Nc2ccccc2C(C)(C)C)ncn1
InChIInChI=1S/C18H26N4/c1-17(2,3)13-9-7-8-10-14(13)21-15-11-16(20-12-19-15)22-18(4,5)6/h7-12H,1-6H3,(H2,19,20,21,22)
InChIKeyKMLGQKUPVFHRRP-UHFFFAOYSA-N
MW298.43 g/mol
LogP4.73
Rot. Bonds3

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

4-N-tert-butyl-6-N-(2-tert-butylphenyl)pyrimidine-4,6-diamine (PubChem CID 112863783) has the molecular formula C18H26N4 and a molecular weight of 298.43 g/mol. Its IUPAC name is 4-N-tert-butyl-6-N-(2-tert-butylphenyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-tert-butyl-6-N-(2-tert-butylphenyl)pyrimidine-4,6-diamine
PubChem CID112863783
Molecular FormulaC18H26N4
Molecular Weight298.43 g/mol
Exact Mass298.22
IUPAC Name4-N-tert-butyl-6-N-(2-tert-butylphenyl)pyrimidine-4,6-diamine
SMILESCC(C)(C)Nc1cc(Nc2ccccc2C(C)(C)C)ncn1
InChIInChI=1S/C18H26N4/c1-17(2,3)13-9-7-8-10-14(13)21-15-11-16(20-12-19-15)22-18(4,5)6/h7-12H,1-6H3,(H2,19,20,21,22)
InChIKeyKMLGQKUPVFHRRP-UHFFFAOYSA-N
XLogP4.73
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(2-tert-butylphenyl)-6-N-methylpyrimidine-4,6-diamine
CID 80835461
6-N-(2-tert-butylphenyl)-4-N-propan-2-ylpyrimidine-4,6-diamine
CID 112854607
4-N-(2-tert-butylphenyl)pyrimidine-4,6-diamine
CID 80836348
4-N-tert-butyl-6-N-(2-chlorophenyl)pyrimidine-4,6-diamine
CID 112863787
6-N-(2-tert-butylphenyl)-4-N,4-N-diethylpyrimidine-4,6-diamine
CID 112863482
6-N-methyl-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 80763069
4-[6-(2-tert-butylanilino)pyrimidin-4-yl]piperazine-1-carbaldehyde
CID 112858291
6-N-(2-bromo-4-methylphenyl)-4-N-tert-butylpyrimidine-4,6-diamine
CID 112863835
6-N-propyl-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 80736803
6-hydrazinyl-N-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 80927860
4-N-tert-butyl-6-N-(4-phenoxyphenyl)pyrimidine-4,6-diamine
CID 112863830
4-N-tert-butyl-6-N-(2-methoxy-5-methylphenyl)pyrimidine-4,6-diamine
CID 112863804

Frequently Asked Questions

What is the IUPAC name of 4-N-tert-butyl-6-N-(2-tert-butylphenyl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N-tert-butyl-6-N-(2-tert-butylphenyl)pyrimidine-4,6-diamine (CID 112863783) is 4-N-tert-butyl-6-N-(2-tert-butylphenyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-tert-butyl-6-N-(2-tert-butylphenyl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-tert-butyl-6-N-(2-tert-butylphenyl)pyrimidine-4,6-diamine is CC(C)(C)Nc1cc(Nc2ccccc2C(C)(C)C)ncn1.
What is the InChIKey of 4-N-tert-butyl-6-N-(2-tert-butylphenyl)pyrimidine-4,6-diamine?
The InChIKey is KMLGQKUPVFHRRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4/c1-17(2,3)13-9-7-8-10-14(13)21-15-11-16(20-12-19-15)22-18(4,5)6/h7-12H,1-6H3,(H2,19,20,21,22).
What are the key properties of 4-N-tert-butyl-6-N-(2-tert-butylphenyl)pyrimidine-4,6-diamine?
4-N-tert-butyl-6-N-(2-tert-butylphenyl)pyrimidine-4,6-diamine has a molecular weight of 298.43 g/mol, XLogP of 4.73, 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-6-N-(2-tert-butylphenyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 112863783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).