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

C16H22N4O — CID 80955700

IUPAC2-tert-butyl-4-N-(4-ethoxyphenyl)pyrimidine-4,6-diamine
SMILESCCOc1ccc(Nc2cc(N)nc(C(C)(C)C)n2)cc1
InChIInChI=1S/C16H22N4O/c1-5-21-12-8-6-11(7-9-12)18-14-10-13(17)19-15(20-14)16(2,3)4/h6-10H,5H2,1-4H3,(H3,17,18,19,20)
InChIKeyJOZIENZYOXYWCE-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.50
Rot. Bonds4

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

2-tert-butyl-4-N-(4-ethoxyphenyl)pyrimidine-4,6-diamine (PubChem CID 80955700) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 2-tert-butyl-4-N-(4-ethoxyphenyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-tert-butyl-4-N-(4-ethoxyphenyl)pyrimidine-4,6-diamine
PubChem CID80955700
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name2-tert-butyl-4-N-(4-ethoxyphenyl)pyrimidine-4,6-diamine
SMILESCCOc1ccc(Nc2cc(N)nc(C(C)(C)C)n2)cc1
InChIInChI=1S/C16H22N4O/c1-5-21-12-8-6-11(7-9-12)18-14-10-13(17)19-15(20-14)16(2,3)4/h6-10H,5H2,1-4H3,(H3,17,18,19,20)
InChIKeyJOZIENZYOXYWCE-UHFFFAOYSA-N
XLogP3.50
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N,6-N-bis(4-ethoxyphenyl)pyrimidine-2,4,6-triamine
CID 15556985
4-N-(4-methoxyphenyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106769991
2-tert-butyl-4-N-(3-ethylphenyl)pyrimidine-4,6-diamine
CID 80955477
4-N-(1,3-benzothiazol-6-yl)-2-tert-butylpyrimidine-4,6-diamine
CID 107801962
4-N-(4-propoxyphenyl)-2-propylpyrimidine-4,6-diamine
CID 80941469
6-N-(4-ethoxyphenyl)-4-N-(4-fluorophenyl)-2-methylpyrimidine-4,6-diamine
CID 112877881
2-tert-butyl-4-N-propylpyrimidine-4,6-diamine
CID 80957078
1-N,4-N-bis(4-ethoxyphenyl)benzene-1,4-diamine
CID 139791472
2-N-(4-ethoxyphenyl)-4-methylpyridine-2,5-diamine
CID 79020765
4-N-(4-methoxyphenyl)-2-propylpyrimidine-4,6-diamine
CID 80946490
2-tert-butyl-4-N-(4-chlorophenyl)-6-N-ethylpyrimidine-4,6-diamine
CID 80956206
6-(difluoromethyl)-N-(4-ethoxyphenyl)-2-methylpyrimidin-4-amine
CID 154882784

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-N-(4-ethoxyphenyl)pyrimidine-4,6-diamine?
The IUPAC name of 2-tert-butyl-4-N-(4-ethoxyphenyl)pyrimidine-4,6-diamine (CID 80955700) is 2-tert-butyl-4-N-(4-ethoxyphenyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 2-tert-butyl-4-N-(4-ethoxyphenyl)pyrimidine-4,6-diamine?
The canonical SMILES for 2-tert-butyl-4-N-(4-ethoxyphenyl)pyrimidine-4,6-diamine is CCOc1ccc(Nc2cc(N)nc(C(C)(C)C)n2)cc1.
What is the InChIKey of 2-tert-butyl-4-N-(4-ethoxyphenyl)pyrimidine-4,6-diamine?
The InChIKey is JOZIENZYOXYWCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-5-21-12-8-6-11(7-9-12)18-14-10-13(17)19-15(20-14)16(2,3)4/h6-10H,5H2,1-4H3,(H3,17,18,19,20).
What are the key properties of 2-tert-butyl-4-N-(4-ethoxyphenyl)pyrimidine-4,6-diamine?
2-tert-butyl-4-N-(4-ethoxyphenyl)pyrimidine-4,6-diamine has a molecular weight of 286.38 g/mol, XLogP of 3.50, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-N-(4-ethoxyphenyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80955700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).