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

C15H20N4 — CID 80835461

IUPAC4-N-(2-tert-butylphenyl)-6-N-methylpyrimidine-4,6-diamine
SMILESCNc1cc(Nc2ccccc2C(C)(C)C)ncn1
InChIInChI=1S/C15H20N4/c1-15(2,3)11-7-5-6-8-12(11)19-14-9-13(16-4)17-10-18-14/h5-10H,1-4H3,(H2,16,17,18,19)
InChIKeyNVGIFZIWBQRYIO-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.56
Rot. Bonds3

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

4-N-(2-tert-butylphenyl)-6-N-methylpyrimidine-4,6-diamine (PubChem CID 80835461) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is 4-N-(2-tert-butylphenyl)-6-N-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(2-tert-butylphenyl)-6-N-methylpyrimidine-4,6-diamine
PubChem CID80835461
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC Name4-N-(2-tert-butylphenyl)-6-N-methylpyrimidine-4,6-diamine
SMILESCNc1cc(Nc2ccccc2C(C)(C)C)ncn1
InChIInChI=1S/C15H20N4/c1-15(2,3)11-7-5-6-8-12(11)19-14-9-13(16-4)17-10-18-14/h5-10H,1-4H3,(H2,16,17,18,19)
InChIKeyNVGIFZIWBQRYIO-UHFFFAOYSA-N
XLogP3.56
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-N-methyl-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 80763069
4-N-tert-butyl-6-N-(2-tert-butylphenyl)pyrimidine-4,6-diamine
CID 112863783
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-(2-iodophenyl)-6-N-methylpyrimidine-4,6-diamine
CID 80763536
6-N-(2-tert-butylphenyl)-4-N,4-N-diethylpyrimidine-4,6-diamine
CID 112863482
2-N-(2-tert-butylphenyl)-6-N-methylpyrazine-2,6-diamine
CID 80836441
4-[6-(2-tert-butylanilino)pyrimidin-4-yl]piperazine-1-carbaldehyde
CID 112858291
4-N-(2,3-difluorophenyl)-6-N-methylpyrimidine-4,6-diamine
CID 80797193
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-(3-chloro-2-methylphenyl)-6-N-methylpyrimidine-4,6-diamine
CID 80762667

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-tert-butylphenyl)-6-N-methylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(2-tert-butylphenyl)-6-N-methylpyrimidine-4,6-diamine (CID 80835461) is 4-N-(2-tert-butylphenyl)-6-N-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(2-tert-butylphenyl)-6-N-methylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(2-tert-butylphenyl)-6-N-methylpyrimidine-4,6-diamine is CNc1cc(Nc2ccccc2C(C)(C)C)ncn1.
What is the InChIKey of 4-N-(2-tert-butylphenyl)-6-N-methylpyrimidine-4,6-diamine?
The InChIKey is NVGIFZIWBQRYIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c1-15(2,3)11-7-5-6-8-12(11)19-14-9-13(16-4)17-10-18-14/h5-10H,1-4H3,(H2,16,17,18,19).
What are the key properties of 4-N-(2-tert-butylphenyl)-6-N-methylpyrimidine-4,6-diamine?
4-N-(2-tert-butylphenyl)-6-N-methylpyrimidine-4,6-diamine has a molecular weight of 256.35 g/mol, XLogP of 3.56, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-tert-butylphenyl)-6-N-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 80835461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).