2-tert-butyl-5-methyl-4-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-4,6-diamine

C14H22N6O — CID 106424191

IUPAC2-tert-butyl-5-methyl-4-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-4,6-diamine
SMILESCc1nc(CCNc2nc(C(C)(C)C)nc(N)c2C)no1
InChIInChI=1S/C14H22N6O/c1-8-11(15)18-13(14(3,4)5)19-12(8)16-7-6-10-17-9(2)21-20-10/h6-7H2,1-5H3,(H3,15,16,18,19)
InChIKeyQNGBIMPQXKPBAX-UHFFFAOYSA-N
MW290.37 g/mol
LogP2.01
Rot. Bonds4

About 2-tert-butyl-5-methyl-4-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-4,6-diamine

2-tert-butyl-5-methyl-4-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-4,6-diamine (PubChem CID 106424191) has the molecular formula C14H22N6O and a molecular weight of 290.37 g/mol. Its IUPAC name is 2-tert-butyl-5-methyl-4-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-tert-butyl-5-methyl-4-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-4,6-diamine
PubChem CID106424191
Molecular FormulaC14H22N6O
Molecular Weight290.37 g/mol
Exact Mass290.19
IUPAC Name2-tert-butyl-5-methyl-4-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-4,6-diamine
SMILESCc1nc(CCNc2nc(C(C)(C)C)nc(N)c2C)no1
InChIInChI=1S/C14H22N6O/c1-8-11(15)18-13(14(3,4)5)19-12(8)16-7-6-10-17-9(2)21-20-10/h6-7H2,1-5H3,(H3,15,16,18,19)
InChIKeyQNGBIMPQXKPBAX-UHFFFAOYSA-N
XLogP2.01
TPSA102.75 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-cyclopropyl-5-methyl-4-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-4,6-diamine
CID 106424259
2-[(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)amino]ethanol
CID 80981481
3-[(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)amino]-N,N-dimethylpropanamide
CID 80982844
3,5-difluoro-6-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyridine-2,6-diamine
CID 106424233
5-[(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)amino]pentan-2-ol
CID 106138122
5-bromo-4-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-4,6-diamine
CID 106424292
2-tert-butyl-5-methyl-4-N-(2-morpholin-4-ylethyl)pyrimidine-4,6-diamine
CID 80980968
2-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyridine-2,3-diamine
CID 106413986
1-[(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)amino]propan-2-ol
CID 80993136
5-chloro-4-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-2,4-diamine
CID 106424263
2-tert-butyl-5-methyl-4-N-[2-(3-methylbutoxy)ethyl]pyrimidine-4,6-diamine
CID 80984364
6-chloro-4-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-4,5-diamine
CID 114185738

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-methyl-4-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-4,6-diamine?
The IUPAC name of 2-tert-butyl-5-methyl-4-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-4,6-diamine (CID 106424191) is 2-tert-butyl-5-methyl-4-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 2-tert-butyl-5-methyl-4-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-4,6-diamine?
The canonical SMILES for 2-tert-butyl-5-methyl-4-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-4,6-diamine is Cc1nc(CCNc2nc(C(C)(C)C)nc(N)c2C)no1.
What is the InChIKey of 2-tert-butyl-5-methyl-4-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-4,6-diamine?
The InChIKey is QNGBIMPQXKPBAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N6O/c1-8-11(15)18-13(14(3,4)5)19-12(8)16-7-6-10-17-9(2)21-20-10/h6-7H2,1-5H3,(H3,15,16,18,19).
What are the key properties of 2-tert-butyl-5-methyl-4-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-4,6-diamine?
2-tert-butyl-5-methyl-4-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-4,6-diamine has a molecular weight of 290.37 g/mol, XLogP of 2.01, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-methyl-4-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 106424191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).