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

C15H20N4O — CID 90189713

IUPAC4-N-tert-butyl-6-(4-methoxyphenyl)pyrimidine-2,4-diamine
SMILESCOc1ccc(-c2cc(NC(C)(C)C)nc(N)n2)cc1
InChIInChI=1S/C15H20N4O/c1-15(2,3)19-13-9-12(17-14(16)18-13)10-5-7-11(20-4)8-6-10/h5-9H,1-4H3,(H3,16,17,18,19)
InChIKeyPZTUOJRCCZGXKO-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.94
Rot. Bonds3

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

4-N-tert-butyl-6-(4-methoxyphenyl)pyrimidine-2,4-diamine (PubChem CID 90189713) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 4-N-tert-butyl-6-(4-methoxyphenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-tert-butyl-6-(4-methoxyphenyl)pyrimidine-2,4-diamine
PubChem CID90189713
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name4-N-tert-butyl-6-(4-methoxyphenyl)pyrimidine-2,4-diamine
SMILESCOc1ccc(-c2cc(NC(C)(C)C)nc(N)n2)cc1
InChIInChI=1S/C15H20N4O/c1-15(2,3)19-13-9-12(17-14(16)18-13)10-5-7-11(20-4)8-6-10/h5-9H,1-4H3,(H3,16,17,18,19)
InChIKeyPZTUOJRCCZGXKO-UHFFFAOYSA-N
XLogP2.94
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-[[2-amino-6-(4-methoxyphenyl)pyrimidin-4-yl]amino]ethyl]phenol
CID 117082432
4-(3,4-dimethylphenyl)-6-(4-methoxyphenyl)pyrimidin-2-amine
CID 75360175
4-N-tert-butyl-2-N-(4-methoxyphenyl)-6-phenylpyrimidine-2,4-diamine
CID 112937801
4-N-tert-butyl-2-N-(2,5-dimethoxyphenyl)-6-phenylpyrimidine-2,4-diamine
CID 112937807
2-amino-6-(4-methoxyphenyl)-N-methylpyrimidine-4-carboxamide
CID 54854055
4-(3-bromophenyl)-6-(4-methoxyphenyl)pyrimidin-2-amine
CID 75359610
4-(4-methoxyphenyl)-6-[3-(methylamino)azetidin-1-yl]pyrimidin-2-amine
CID 11471669
2,4,6-tris(4-methoxyphenyl)pyrimidine
CID 11784296
4-N-tert-butyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidine-2,4-diamine
CID 141440914
6-N-[2-amino-6-(4-methoxyphenyl)pyrimidin-4-yl]-2-(3-methoxyphenyl)quinoline-4,6-diamine
CID 22643261
[2-amino-6-(4-methoxyphenyl)pyrimidin-4-yl] 4-methylbenzenesulfonate
CID 101444470
4-N-(3-chloro-4-methoxyphenyl)-6-(4-ethoxyphenyl)pyrimidine-2,4-diamine
CID 58626180

Frequently Asked Questions

What is the IUPAC name of 4-N-tert-butyl-6-(4-methoxyphenyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-tert-butyl-6-(4-methoxyphenyl)pyrimidine-2,4-diamine (CID 90189713) is 4-N-tert-butyl-6-(4-methoxyphenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-tert-butyl-6-(4-methoxyphenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-tert-butyl-6-(4-methoxyphenyl)pyrimidine-2,4-diamine is COc1ccc(-c2cc(NC(C)(C)C)nc(N)n2)cc1.
What is the InChIKey of 4-N-tert-butyl-6-(4-methoxyphenyl)pyrimidine-2,4-diamine?
The InChIKey is PZTUOJRCCZGXKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-15(2,3)19-13-9-12(17-14(16)18-13)10-5-7-11(20-4)8-6-10/h5-9H,1-4H3,(H3,16,17,18,19).
What are the key properties of 4-N-tert-butyl-6-(4-methoxyphenyl)pyrimidine-2,4-diamine?
4-N-tert-butyl-6-(4-methoxyphenyl)pyrimidine-2,4-diamine has a molecular weight of 272.35 g/mol, XLogP of 2.94, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-tert-butyl-6-(4-methoxyphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 90189713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).