6-N-tert-butyl-4-N-methyl-4-N-phenylpyrimidine-4,6-diamine

C15H20N4 — CID 112863765

IUPAC6-N-tert-butyl-4-N-methyl-4-N-phenylpyrimidine-4,6-diamine
SMILESCN(c1ccccc1)c1cc(NC(C)(C)C)ncn1
InChIInChI=1S/C15H20N4/c1-15(2,3)18-13-10-14(17-11-16-13)19(4)12-8-6-5-7-9-12/h5-11H,1-4H3,(H,16,17,18)
InChIKeyLYGVILFQFBWWLU-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.45
Rot. Bonds3

About 6-N-tert-butyl-4-N-methyl-4-N-phenylpyrimidine-4,6-diamine

6-N-tert-butyl-4-N-methyl-4-N-phenylpyrimidine-4,6-diamine (PubChem CID 112863765) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is 6-N-tert-butyl-4-N-methyl-4-N-phenylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-tert-butyl-4-N-methyl-4-N-phenylpyrimidine-4,6-diamine
PubChem CID112863765
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC Name6-N-tert-butyl-4-N-methyl-4-N-phenylpyrimidine-4,6-diamine
SMILESCN(c1ccccc1)c1cc(NC(C)(C)C)ncn1
InChIInChI=1S/C15H20N4/c1-15(2,3)18-13-10-14(17-11-16-13)19(4)12-8-6-5-7-9-12/h5-11H,1-4H3,(H,16,17,18)
InChIKeyLYGVILFQFBWWLU-UHFFFAOYSA-N
XLogP3.45
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-N-tert-butyl-4-N-ethyl-4-N-phenylpyrimidine-4,6-diamine
CID 112863776
4-N-methyl-4-N-phenyl-6-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine
CID 112860925
6-N-[2-(2-fluorophenyl)ethyl]-4-N-methyl-4-N-phenylpyrimidine-4,6-diamine
CID 112861309
6-N-[4-(diethylamino)phenyl]-4-N-methyl-4-N-phenylpyrimidine-4,6-diamine
CID 112865025
6-N-(4-ethylphenyl)-4-N-methyl-4-N-phenylpyrimidine-4,6-diamine
CID 112864985
4-N,4-N-diethyl-6-N-methyl-6-N-phenylpyrimidine-4,6-diamine
CID 112863464
6-N-(3-chloro-4-fluorophenyl)-4-N-methyl-4-N-phenylpyrimidine-4,6-diamine
CID 112864998
1-[3-[[6-(N-methylanilino)pyrimidin-4-yl]amino]phenyl]ethanone
CID 112865016
4-N,6-N-dimethyl-4-N-pyridin-4-ylpyrimidine-4,6-diamine
CID 115265479
6-N-(1,1-dioxothiolan-3-yl)-4-N-methyl-4-N-phenylpyrimidine-4,6-diamine
CID 112861955
4-N-methyl-4-N-phenyl-6-N-[(2-pyridin-2-ylpyrimidin-4-yl)methyl]pyrimidine-4,6-diamine
CID 166272871
6-N-benzyl-4-N,4-N-dimethylpyrimidine-4,6-diamine
CID 102080311

Frequently Asked Questions

What is the IUPAC name of 6-N-tert-butyl-4-N-methyl-4-N-phenylpyrimidine-4,6-diamine?
The IUPAC name of 6-N-tert-butyl-4-N-methyl-4-N-phenylpyrimidine-4,6-diamine (CID 112863765) is 6-N-tert-butyl-4-N-methyl-4-N-phenylpyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-tert-butyl-4-N-methyl-4-N-phenylpyrimidine-4,6-diamine?
The canonical SMILES for 6-N-tert-butyl-4-N-methyl-4-N-phenylpyrimidine-4,6-diamine is CN(c1ccccc1)c1cc(NC(C)(C)C)ncn1.
What is the InChIKey of 6-N-tert-butyl-4-N-methyl-4-N-phenylpyrimidine-4,6-diamine?
The InChIKey is LYGVILFQFBWWLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c1-15(2,3)18-13-10-14(17-11-16-13)19(4)12-8-6-5-7-9-12/h5-11H,1-4H3,(H,16,17,18).
What are the key properties of 6-N-tert-butyl-4-N-methyl-4-N-phenylpyrimidine-4,6-diamine?
6-N-tert-butyl-4-N-methyl-4-N-phenylpyrimidine-4,6-diamine has a molecular weight of 256.35 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-tert-butyl-4-N-methyl-4-N-phenylpyrimidine-4,6-diamine is sourced from PubChem (CID 112863765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).