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

C14H22N6O — CID 106411944

IUPAC2-tert-butyl-6-N-ethyl-5-methyl-4-N-(1,2,4-oxadiazol-3-ylmethyl)pyrimidine-4,6-diamine
SMILESCCNc1nc(C(C)(C)C)nc(NCc2ncon2)c1C
InChIInChI=1S/C14H22N6O/c1-6-15-11-9(2)12(16-7-10-17-8-21-20-10)19-13(18-11)14(3,4)5/h8H,6-7H2,1-5H3,(H2,15,16,18,19)
InChIKeyKZTVWRCYMNQROW-UHFFFAOYSA-N
MW290.37 g/mol
LogP2.51
Rot. Bonds5

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

2-tert-butyl-6-N-ethyl-5-methyl-4-N-(1,2,4-oxadiazol-3-ylmethyl)pyrimidine-4,6-diamine (PubChem CID 106411944) has the molecular formula C14H22N6O and a molecular weight of 290.37 g/mol. Its IUPAC name is 2-tert-butyl-6-N-ethyl-5-methyl-4-N-(1,2,4-oxadiazol-3-ylmethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-tert-butyl-6-N-ethyl-5-methyl-4-N-(1,2,4-oxadiazol-3-ylmethyl)pyrimidine-4,6-diamine
PubChem CID106411944
Molecular FormulaC14H22N6O
Molecular Weight290.37 g/mol
Exact Mass290.19
IUPAC Name2-tert-butyl-6-N-ethyl-5-methyl-4-N-(1,2,4-oxadiazol-3-ylmethyl)pyrimidine-4,6-diamine
SMILESCCNc1nc(C(C)(C)C)nc(NCc2ncon2)c1C
InChIInChI=1S/C14H22N6O/c1-6-15-11-9(2)12(16-7-10-17-8-21-20-10)19-13(18-11)14(3,4)5/h8H,6-7H2,1-5H3,(H2,15,16,18,19)
InChIKeyKZTVWRCYMNQROW-UHFFFAOYSA-N
XLogP2.51
TPSA88.76 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

6-N-ethyl-5-methyl-4-N-(1,2,4-oxadiazol-3-ylmethyl)-2-propan-2-ylpyrimidine-4,6-diamine
CID 106411949
6-hydrazinyl-5-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)-2-propylpyrimidin-4-amine
CID 106412418
3,5-dichloro-2-N-ethyl-6-N-(1,2,4-oxadiazol-3-ylmethyl)pyridine-2,6-diamine
CID 114185511
2-tert-butyl-6-chloro-5-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-4-amine
CID 106405726
6-N-ethyl-2-N,2-N-dimethyl-4-N-(1,2,4-oxadiazol-3-ylmethyl)-1,3,5-triazine-2,4,6-triamine
CID 106411963
2-N-ethyl-4-N-(1,2,4-oxadiazol-3-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 106411915
3-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)-1,2,4-oxadiazol-5-amine
CID 106403164
2-tert-butyl-6-N-ethyl-5-methyl-4-N-(3-methylbutyl)pyrimidine-4,6-diamine
CID 80982199
3-bromo-4-methyl-2-N-(1,2,4-oxadiazol-3-ylmethyl)pyridine-2,5-diamine
CID 106393535
2-tert-butyl-N-ethyl-6-(3-methoxypropoxy)-5-methylpyrimidin-4-amine
CID 80987964
4-N-ethyl-2-N-(1,2,4-oxadiazol-3-ylmethyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 106411797
3-N-(1,2,4-oxadiazol-3-ylmethyl)pyrazine-2,3-diamine
CID 106411526

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-N-ethyl-5-methyl-4-N-(1,2,4-oxadiazol-3-ylmethyl)pyrimidine-4,6-diamine?
The IUPAC name of 2-tert-butyl-6-N-ethyl-5-methyl-4-N-(1,2,4-oxadiazol-3-ylmethyl)pyrimidine-4,6-diamine (CID 106411944) is 2-tert-butyl-6-N-ethyl-5-methyl-4-N-(1,2,4-oxadiazol-3-ylmethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 2-tert-butyl-6-N-ethyl-5-methyl-4-N-(1,2,4-oxadiazol-3-ylmethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 2-tert-butyl-6-N-ethyl-5-methyl-4-N-(1,2,4-oxadiazol-3-ylmethyl)pyrimidine-4,6-diamine is CCNc1nc(C(C)(C)C)nc(NCc2ncon2)c1C.
What is the InChIKey of 2-tert-butyl-6-N-ethyl-5-methyl-4-N-(1,2,4-oxadiazol-3-ylmethyl)pyrimidine-4,6-diamine?
The InChIKey is KZTVWRCYMNQROW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N6O/c1-6-15-11-9(2)12(16-7-10-17-8-21-20-10)19-13(18-11)14(3,4)5/h8H,6-7H2,1-5H3,(H2,15,16,18,19).
What are the key properties of 2-tert-butyl-6-N-ethyl-5-methyl-4-N-(1,2,4-oxadiazol-3-ylmethyl)pyrimidine-4,6-diamine?
2-tert-butyl-6-N-ethyl-5-methyl-4-N-(1,2,4-oxadiazol-3-ylmethyl)pyrimidine-4,6-diamine has a molecular weight of 290.37 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-N-ethyl-5-methyl-4-N-(1,2,4-oxadiazol-3-ylmethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 106411944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).