2-tert-butyl-6-chloro-5-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-4-amine

C13H18ClN5O — CID 106405726

IUPAC2-tert-butyl-6-chloro-5-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-4-amine
SMILESCc1c(Cl)nc(C(C)(C)C)nc1NCCc1ncon1
InChIInChI=1S/C13H18ClN5O/c1-8-10(14)17-12(13(2,3)4)18-11(8)15-6-5-9-16-7-20-19-9/h7H,5-6H2,1-4H3,(H,15,17,18)
InChIKeyRGMMMKBODICAFK-UHFFFAOYSA-N
MW295.77 g/mol
LogP2.77
Rot. Bonds4

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

2-tert-butyl-6-chloro-5-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-4-amine (PubChem CID 106405726) has the molecular formula C13H18ClN5O and a molecular weight of 295.77 g/mol. Its IUPAC name is 2-tert-butyl-6-chloro-5-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-tert-butyl-6-chloro-5-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-4-amine
PubChem CID106405726
Molecular FormulaC13H18ClN5O
Molecular Weight295.77 g/mol
Exact Mass295.12
IUPAC Name2-tert-butyl-6-chloro-5-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-4-amine
SMILESCc1c(Cl)nc(C(C)(C)C)nc1NCCc1ncon1
InChIInChI=1S/C13H18ClN5O/c1-8-10(14)17-12(13(2,3)4)18-11(8)15-6-5-9-16-7-20-19-9/h7H,5-6H2,1-4H3,(H,15,17,18)
InChIKeyRGMMMKBODICAFK-UHFFFAOYSA-N
XLogP2.77
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-tert-butyl-6-chloro-5-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-4-amine with MolForge

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Related Compounds

6-chloro-2-cyclopropyl-5-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-4-amine
CID 106405659
2-tert-butyl-6-N-ethyl-5-methyl-4-N-(1,2,4-oxadiazol-3-ylmethyl)pyrimidine-4,6-diamine
CID 106411944
2-tert-butyl-6-chloro-5-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine
CID 80971390
N-but-3-enyl-2-tert-butyl-6-chloro-5-methylpyrimidin-4-amine
CID 106196201
6-chloro-5-methoxy-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-4-amine
CID 106405714
2-tert-butyl-6-chloro-5-methyl-N-(2-methylsulfinylethyl)pyrimidin-4-amine
CID 113480418
3-[(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)amino]propanamide
CID 80971178
2-tert-butyl-6-chloro-N-(2,2-dimethylbutyl)-5-methylpyrimidin-4-amine
CID 103463623
4-methyl-2-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyridine-2,3-diamine
CID 106394129
5-chloro-2-hydrazinyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-4-amine
CID 106412573
5,6-dimethyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrazin-2-amine
CID 106404238
2-tert-butyl-5-methyl-4-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-4,6-diamine
CID 106424191

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-chloro-5-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-4-amine?
The IUPAC name of 2-tert-butyl-6-chloro-5-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-4-amine (CID 106405726) is 2-tert-butyl-6-chloro-5-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-4-amine.
What is the SMILES notation for 2-tert-butyl-6-chloro-5-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-4-amine?
The canonical SMILES for 2-tert-butyl-6-chloro-5-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-4-amine is Cc1c(Cl)nc(C(C)(C)C)nc1NCCc1ncon1.
What is the InChIKey of 2-tert-butyl-6-chloro-5-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-4-amine?
The InChIKey is RGMMMKBODICAFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN5O/c1-8-10(14)17-12(13(2,3)4)18-11(8)15-6-5-9-16-7-20-19-9/h7H,5-6H2,1-4H3,(H,15,17,18).
What are the key properties of 2-tert-butyl-6-chloro-5-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-4-amine?
2-tert-butyl-6-chloro-5-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-4-amine has a molecular weight of 295.77 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-chloro-5-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-4-amine is sourced from PubChem (CID 106405726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).