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

C16H22N4O — CID 80956487

IUPAC2-tert-butyl-4-N-(2-methoxyphenyl)-6-N-methylpyrimidine-4,6-diamine
SMILESCNc1cc(Nc2ccccc2OC)nc(C(C)(C)C)n1
InChIInChI=1S/C16H22N4O/c1-16(2,3)15-19-13(17-4)10-14(20-15)18-11-8-6-7-9-12(11)21-5/h6-10H,1-5H3,(H2,17,18,19,20)
InChIKeyMILQUVZWTBSECN-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.57
Rot. Bonds4

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

2-tert-butyl-4-N-(2-methoxyphenyl)-6-N-methylpyrimidine-4,6-diamine (PubChem CID 80956487) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 2-tert-butyl-4-N-(2-methoxyphenyl)-6-N-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-tert-butyl-4-N-(2-methoxyphenyl)-6-N-methylpyrimidine-4,6-diamine
PubChem CID80956487
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name2-tert-butyl-4-N-(2-methoxyphenyl)-6-N-methylpyrimidine-4,6-diamine
SMILESCNc1cc(Nc2ccccc2OC)nc(C(C)(C)C)n1
InChIInChI=1S/C16H22N4O/c1-16(2,3)15-19-13(17-4)10-14(20-15)18-11-8-6-7-9-12(11)21-5/h6-10H,1-5H3,(H2,17,18,19,20)
InChIKeyMILQUVZWTBSECN-UHFFFAOYSA-N
XLogP3.57
TPSA59.07 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 ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(2-methoxyphenyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106770018
2-tert-butyl-4-N-(5-fluoro-2-methylphenyl)-6-N-methylpyrimidine-4,6-diamine
CID 80955594
N-(2-methoxyphenyl)-4-methylquinolin-2-amine
CID 847633
2-tert-butyl-4-N-(5-chloro-2-fluorophenyl)-6-N-methylpyrimidine-4,6-diamine
CID 80960482
2-chloro-N-(2-methoxyphenyl)-6-methylpyrimidin-4-amine
CID 55080697
4-N-(2-methoxyphenyl)-2-methyl-6-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 112878286
2-tert-butyl-4-N-(3-fluorophenyl)-6-N-methylpyrimidine-4,6-diamine
CID 80955468
6-N-(2-methoxyphenyl)-2-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,6-diamine
CID 112878329
6-N-(2-methoxyphenyl)-2-phenyl-4-N-propan-2-ylpyrimidine-4,6-diamine
CID 112879380
2-(2-methoxyanilino)quinoline-4-carbonitrile
CID 63885647
6-tert-butyl-2-(2-methoxyphenyl)-N-methylpyrimidin-4-amine
CID 62192683
N-[6-(2-methoxyanilino)pyridazin-3-yl]-2,2-dimethylpropanamide
CID 113048089

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-N-(2-methoxyphenyl)-6-N-methylpyrimidine-4,6-diamine?
The IUPAC name of 2-tert-butyl-4-N-(2-methoxyphenyl)-6-N-methylpyrimidine-4,6-diamine (CID 80956487) is 2-tert-butyl-4-N-(2-methoxyphenyl)-6-N-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 2-tert-butyl-4-N-(2-methoxyphenyl)-6-N-methylpyrimidine-4,6-diamine?
The canonical SMILES for 2-tert-butyl-4-N-(2-methoxyphenyl)-6-N-methylpyrimidine-4,6-diamine is CNc1cc(Nc2ccccc2OC)nc(C(C)(C)C)n1.
What is the InChIKey of 2-tert-butyl-4-N-(2-methoxyphenyl)-6-N-methylpyrimidine-4,6-diamine?
The InChIKey is MILQUVZWTBSECN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-16(2,3)15-19-13(17-4)10-14(20-15)18-11-8-6-7-9-12(11)21-5/h6-10H,1-5H3,(H2,17,18,19,20).
What are the key properties of 2-tert-butyl-4-N-(2-methoxyphenyl)-6-N-methylpyrimidine-4,6-diamine?
2-tert-butyl-4-N-(2-methoxyphenyl)-6-N-methylpyrimidine-4,6-diamine has a molecular weight of 286.38 g/mol, XLogP of 3.57, 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-(2-methoxyphenyl)-6-N-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 80956487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).